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Showing metabocard for 2-Ethylbenzenethiol (HMDB0041361)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:02:23 UTC
Update Date2023-02-21 17:28:39 UTC
HMDB IDHMDB0041361
Secondary Accession Numbers
  • HMDB41361
Metabolite Identification
Common Name2-Ethylbenzenethiol
Description2-Ethylbenzenethiol belongs to the class of organic compounds known as thiophenols. Thiophenols are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. 2-Ethylbenzenethiol is a roasted and sulfurous tasting compound. Based on a literature review very few articles have been published on 2-Ethylbenzenethiol.
Structure
Data?1677000519
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041361 (2-Ethylbenzenethiol)


  Mrv0541 05061312372D          

  9  9  0  0  0  0            999 V2000
   -0.7145    2.0625    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 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0041361 (2-Ethylbenzenethiol)

HMDB0041361
     RDKit          3D
2-Ethylbenzenethiol
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.3500   -0.0808   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.0487    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -0.1331    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854   -1.3705    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -1.5270   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -0.3840   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.8537   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.9976    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545    2.6321    0.1124 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -1.0594   -0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    0.7460   -1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4024   -0.0873   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -0.8397    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473    0.9746    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -2.2505    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112   -2.4783   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5982   -0.4573   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117    1.7604   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2557    2.7519   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
M  END
Download

3D SDF for HMDB0041361 (2-Ethylbenzenethiol)


  Mrv0541 05061312372D          

  9  9  0  0  0  0            999 V2000
   -0.7145    2.0625    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 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041361

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1=CC=CC=C1S

> <INCHI_IDENTIFIER>
InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

> <INCHI_KEY>
ABROBCBIIWHVNS-UHFFFAOYSA-N

> <FORMULA>
C8H10S

> <MOLECULAR_WEIGHT>
138.23

> <EXACT_MASS>
138.05032101

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.738069383883394

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethylbenzene-1-thiol

> <ALOGPS_LOGP>
3.49

> <JCHEM_LOGP>
3.0244430500000004

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.8092521301886615

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
43.71

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethylbenzenethiol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0041361 (2-Ethylbenzenethiol)

HMDB0041361
     RDKit          3D
2-Ethylbenzenethiol
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.3500   -0.0808   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.0487    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -0.1331    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854   -1.3705    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -1.5270   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -0.3840   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.8537   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.9976    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545    2.6321    0.1124 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -1.0594   -0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    0.7460   -1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4024   -0.0873   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -0.8397    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473    0.9746    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -2.2505    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112   -2.4783   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5982   -0.4573   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117    1.7604   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2557    2.7519   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
M  END
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PDB for HMDB0041361 (2-Ethylbenzenethiol)

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      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  S   UNK     0       1.334   3.850   0.000  0.00  0.00           S+0
CONECT    1    2                                                            
CONECT    2    1    7                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    8                                                       
CONECT    7    2    5    8                                                  
CONECT    8    6    7    9                                                  
CONECT    9    8                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   18    0
END
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3D PDB for HMDB0041361 (2-Ethylbenzenethiol)

COMPND    HMDB0041361
HETATM    1  C1  UNL     1       2.350  -0.081  -0.418  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.450  -0.049   0.811  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.011  -0.133   0.418  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.585  -1.371   0.400  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.890  -1.527  -0.003  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.578  -0.384  -0.390  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.001   0.854  -0.375  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.677   0.998   0.036  1.00  0.00           C  
HETATM    9  S1  UNL     1       0.054   2.632   0.112  1.00  0.00           S  
HETATM   10  H1  UNL     1       2.162  -1.059  -0.918  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.195   0.746  -1.104  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.402  -0.087  -0.056  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.766  -0.840   1.484  1.00  0.00           H  
HETATM   14  H5  UNL     1       1.647   0.975   1.257  1.00  0.00           H  
HETATM   15  H6  UNL     1      -0.042  -2.250   0.711  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.411  -2.478  -0.036  1.00  0.00           H  
HETATM   17  H8  UNL     1      -3.598  -0.457  -0.719  1.00  0.00           H  
HETATM   18  H9  UNL     1      -2.512   1.760  -0.671  1.00  0.00           H  
HETATM   19  H10 UNL     1       1.256   2.752  -0.539  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4    4    8
CONECT    4    5   15
CONECT    5    6    6   16
CONECT    6    7   17
CONECT    7    8    8   18
CONECT    8    9
CONECT    9   19
END
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SMILES for HMDB0041361 (2-Ethylbenzenethiol)

CCC1=CC=CC=C1S
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INCHI for HMDB0041361 (2-Ethylbenzenethiol)

InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Ethyl-benzenethiolHMDB
2-EthylthiophenolHMDB
FEMA 3345HMDB
O-EthylthiophenolHMDB
Chemical FormulaC8H10S
Average Molecular Weight138.23
Monoisotopic Molecular Weight138.05032101
IUPAC Name2-ethylbenzene-1-thiol
Traditional Name2-ethylbenzenethiol
CAS Registry Number4500-58-7
SMILES
CCC1=CC=CC=C1S
InChI Identifier
InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChI KeyABROBCBIIWHVNS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thiophenols. Thiophenols are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
KingdomOrganic compounds
Super ClassBenzenoids
ClassThiophenols
Sub ClassNot Available
Direct ParentThiophenols
Alternative Parents
Substituents
  • Thiophenol
  • Monocyclic benzene moiety
  • Arylthiol
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point203.00 to 205.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility56.24 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.511 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.13 g/LALOGPS
logP3.49ALOGPS
logP3.02ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)6.81ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity43.71 m³·mol⁻¹ChemAxon
Polarizability15.74 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]+128.19331661259
DarkChem[M-H]-126.91631661259
DeepCCS[M+H]+127.63430932474
DeepCCS[M-H]-125.36630932474
DeepCCS[M-2H]-161.57930932474
DeepCCS[M+Na]+136.33930932474
AllCCS[M+H]+125.832859911
AllCCS[M+H-H2O]+121.032859911
AllCCS[M+NH4]+130.232859911
AllCCS[M+Na]+131.532859911
AllCCS[M-H]-126.532859911
AllCCS[M+Na-2H]-128.632859911
AllCCS[M+HCOO]-130.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-EthylbenzenethiolCCC1=CC=CC=C1S1694.4Standard polar33892256
2-EthylbenzenethiolCCC1=CC=CC=C1S1136.9Standard non polar33892256
2-EthylbenzenethiolCCC1=CC=CC=C1S1171.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Ethylbenzenethiol,1TMS,isomer #1CCC1=CC=CC=C1S[Si](C)(C)C1392.8Semi standard non polar33892256
2-Ethylbenzenethiol,1TMS,isomer #1CCC1=CC=CC=C1S[Si](C)(C)C1267.7Standard non polar33892256
2-Ethylbenzenethiol,1TBDMS,isomer #1CCC1=CC=CC=C1S[Si](C)(C)C(C)(C)C1615.4Semi standard non polar33892256
2-Ethylbenzenethiol,1TBDMS,isomer #1CCC1=CC=CC=C1S[Si](C)(C)C(C)(C)C1492.2Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethylbenzenethiol GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dr-6900000000-5ca6519b93f580983b8a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethylbenzenethiol 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 - 2-Ethylbenzenethiol 10V, Positive-QTOFsplash10-000i-0900000000-19845c1a81a2809365562017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 20V, Positive-QTOFsplash10-000i-1900000000-4b1ab9ddeb9f2da803aa2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 40V, Positive-QTOFsplash10-0udr-9000000000-1d3b9bdceaf24c58eaa62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 10V, Negative-QTOFsplash10-0f79-0900000000-266763514adf728b978a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 20V, Negative-QTOFsplash10-0f79-0900000000-70a4dbf80cb2d4c6e5172017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 40V, Negative-QTOFsplash10-001i-8900000000-b39cf14c16b9b927e1942017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 10V, Positive-QTOFsplash10-0a4i-0900000000-0bb840c6fbceb35b87902021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 20V, Positive-QTOFsplash10-0a6r-9600000000-abc3c67c49da38f6b70c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 40V, Positive-QTOFsplash10-00or-9200000000-75b99bf5bb9d7b5db4112021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 10V, Negative-QTOFsplash10-0udr-0900000000-313cb0c8e642829edb242021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 20V, Negative-QTOFsplash10-0f80-3900000000-bfd215966cd5417ac27c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylbenzenethiol 40V, Negative-QTOFsplash10-001i-9100000000-a4d1e84c1592cbd1c76d2021-09-22Wishart 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+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 IDFDB021284
KNApSAcK IDNot Available
Chemspider ID2964605
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3734338
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1023201
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.. .