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Showing metabocard for o-Vinylanisole (HMDB0036441)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 21:34:53 UTC
Update Date2023-02-21 17:25:23 UTC
HMDB IDHMDB0036441
Secondary Accession Numbers
  • HMDB36441
Metabolite Identification
Common Nameo-Vinylanisole
Descriptiono-Vinylanisole belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. o-Vinylanisole is an ether, green, and herbal tasting compound. Based on a literature review very few articles have been published on o-Vinylanisole.
Structure
Data?1677000323
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0036441 (o-Vinylanisole)


  Mrv0541 05061309082D          

 10 10  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0036441 (o-Vinylanisole)

HMDB0036441
     RDKit          3D
o-Vinylanisole
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.4902    3.1388    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    2.0303    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.7214    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904    0.5351   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628   -0.7624   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435   -1.8685   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -1.6781   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -0.3918    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7831   -0.1804    0.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983   -1.2551    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5573    3.1539    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    4.0791    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    2.1274    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358    1.3910   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3496   -0.8960   -0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749   -2.8726   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853   -2.5367   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7174   -0.9362    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097   -1.7430   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -2.0563    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
Download

3D SDF for HMDB0036441 (o-Vinylanisole)


  Mrv0541 05061309082D          

 10 10  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036441

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=CC=C1C=C

> <INCHI_IDENTIFIER>
InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3

> <INCHI_KEY>
SFBTTWXNCQVIEC-UHFFFAOYSA-N

> <FORMULA>
C9H10O

> <MOLECULAR_WEIGHT>
134.1751

> <EXACT_MASS>
134.073164942

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.01317786075268

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-ethenyl-2-methoxybenzene

> <ALOGPS_LOGP>
2.79

> <JCHEM_LOGP>
2.5522766183333334

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.839346935960163

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
42.20750000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.55e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
benzene, 1-ethenyl-2-methoxy-

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0036441 (o-Vinylanisole)

HMDB0036441
     RDKit          3D
o-Vinylanisole
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.4902    3.1388    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    2.0303    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.7214    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904    0.5351   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628   -0.7624   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435   -1.8685   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -1.6781   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -0.3918    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7831   -0.1804    0.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983   -1.2551    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5573    3.1539    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    4.0791    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    2.1274    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358    1.3910   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3496   -0.8960   -0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749   -2.8726   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853   -2.5367   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7174   -0.9362    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097   -1.7430   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -2.0563    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
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PDB for HMDB0036441 (o-Vinylanisole)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2   10                                                            
CONECT    3    1    8                                                       
CONECT    4    5    6                                                       
CONECT    5    4    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    3    6    9                                                  
CONECT    9    7    8   10                                                  
CONECT   10    2    9                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0036441 (o-Vinylanisole)

COMPND    HMDB0036441
HETATM    1  C1  UNL     1      -0.490   3.139   0.068  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.193   2.030   0.060  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.428   0.721   0.009  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.790   0.535  -0.036  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.263  -0.762  -0.082  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.443  -1.868  -0.086  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.083  -1.678  -0.042  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.416  -0.392   0.005  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.783  -0.180   0.050  1.00  0.00           O  
HETATM   10  C9  UNL     1       2.698  -1.255   0.050  1.00  0.00           C  
HETATM   11  H1  UNL     1      -1.557   3.154   0.037  1.00  0.00           H  
HETATM   12  H2  UNL     1       0.031   4.079   0.107  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.291   2.127   0.094  1.00  0.00           H  
HETATM   14  H4  UNL     1      -2.436   1.391  -0.033  1.00  0.00           H  
HETATM   15  H5  UNL     1      -3.350  -0.896  -0.117  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.875  -2.873  -0.124  1.00  0.00           H  
HETATM   17  H7  UNL     1       0.585  -2.537  -0.044  1.00  0.00           H  
HETATM   18  H8  UNL     1       3.717  -0.936   0.270  1.00  0.00           H  
HETATM   19  H9  UNL     1       2.610  -1.743  -0.960  1.00  0.00           H  
HETATM   20  H10 UNL     1       2.391  -2.056   0.773  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3   13
CONECT    3    4    4    8
CONECT    4    5   14
CONECT    5    6    6   15
CONECT    6    7   16
CONECT    7    8    8   17
CONECT    8    9
CONECT    9   10
CONECT   10   18   19   20
END
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SMILES for HMDB0036441 (o-Vinylanisole)

COC1=CC=CC=C1C=C
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INCHI for HMDB0036441 (o-Vinylanisole)

InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1-Ethenyl-2-methoxy-benzeneHMDB
1-Ethenyl-2-methoxybenzene, 9ciHMDB
1-Methoxy-2-vinylbenzeneHMDB
2-MethoxystyreneHMDB
2-VinylanisoleHMDB
O-MethoxystyreneHMDB
O-Vinyl-anisoleHMDB
Chemical FormulaC9H10O
Average Molecular Weight134.1751
Monoisotopic Molecular Weight134.073164942
IUPAC Name1-ethenyl-2-methoxybenzene
Traditional Namebenzene, 1-ethenyl-2-methoxy-
CAS Registry Number612-15-7
SMILES
COC1=CC=CC=C1C=C
InChI Identifier
InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
InChI KeySFBTTWXNCQVIEC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassAnisoles
Direct ParentAnisoles
Alternative Parents
Substituents
  • Phenoxy compound
  • Methoxybenzene
  • Styrene
  • Anisole
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point29 °CNot Available
Boiling Point197.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility254.4 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.212 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.26 g/LALOGPS
logP2.79ALOGPS
logP2.55ChemAxon
logS-2.7ALOGPS
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.21 m³·mol⁻¹ChemAxon
Polarizability15.01 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+128.10531661259
DarkChem[M-H]-126.14831661259
DeepCCS[M+H]+133.34630932474
DeepCCS[M-H]-130.97630932474
DeepCCS[M-2H]-167.11730932474
DeepCCS[M+Na]+142.10230932474
AllCCS[M+H]+124.932859911
AllCCS[M+H-H2O]+120.032859911
AllCCS[M+NH4]+129.432859911
AllCCS[M+Na]+130.732859911
AllCCS[M-H]-123.932859911
AllCCS[M+Na-2H]-125.532859911
AllCCS[M+HCOO]-127.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
o-VinylanisoleCOC1=CC=CC=C1C=C1573.0Standard polar33892256
o-VinylanisoleCOC1=CC=CC=C1C=C1093.4Standard non polar33892256
o-VinylanisoleCOC1=CC=CC=C1C=C1124.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - o-Vinylanisole GC-MS (Non-derivatized) - 70eV, Positivesplash10-00lu-5900000000-564bdd396c76f5a84fef2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - o-Vinylanisole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - o-Vinylanisole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 10V, Positive-QTOFsplash10-000i-0900000000-c7c7f8b2455e7dfbf19c2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 20V, Positive-QTOFsplash10-000i-1900000000-cd1fbb06d54c8a8112c12016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 40V, Positive-QTOFsplash10-0ufr-9400000000-99bbfe53845b2c301c6d2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 10V, Negative-QTOFsplash10-001i-0900000000-56365b7c47cae81283f72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 20V, Negative-QTOFsplash10-001i-0900000000-d1c9e8723eb24dc896fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 40V, Negative-QTOFsplash10-0ldu-9600000000-ba2424845f3db4a799c72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 10V, Negative-QTOFsplash10-001i-0900000000-b646282963ddd573b4f42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 20V, Negative-QTOFsplash10-0fsi-0900000000-9750a64010488006c9f62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 40V, Negative-QTOFsplash10-014i-9700000000-edfdc75824324e85d1b92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 10V, Positive-QTOFsplash10-000i-0900000000-2ca3080c18ee398965b62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 20V, Positive-QTOFsplash10-0udr-6900000000-364f9b0cf5728eb6cdfe2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - o-Vinylanisole 40V, Positive-QTOFsplash10-0fvi-9100000000-0b86efea3ede142e7c012021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB015328
KNApSAcK IDNot Available
Chemspider ID13838042
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61153
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1035701
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .