Basic information
- CAS
699-10-5- Standard SMILES
CSSCc1ccccc1- InChIKey
NWYGPVZOBBHKLI-UHFFFAOYSA-N- Molecular formula
- C8H10S2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.02239267
Overview
Benzyl methyl disulfide is a member of benzenes.
Names & identifiers
- Preferred name
- Benzyl methyl disulfide
- IUPAC
- (methyldisulfanyl)methylbenzene
- English name
- BENZYL METHYL DISULFIDE
- Molecular formula
- C8H10S2
- Molecular weight
- 170.29
Names & synonyms
Benzyl methyl disulfideMethyl benzyl disulfideDisulfide, methyl phenylmethylBenzyldithiomethane[(Methyldisulfanyl)methyl]benzeneBenzyl methyl disulphideDISULFIDE, BENZYL METHYLMethyl phenylmethyl disulfideFEMA No. 3504EINECS 211-826-8UNII-Q451CNJ59WNSC 677547
Show more names
methylbenzyldisulfideMETHYLBENZYLDISULPHIDEdisulfide,benzylmethylBenzyl methyl persulfideMethyl benzyl persulfide
BRN 2079563Q451CNJ59WNSC-677547METHYL BENZYL DISULPHIDEDTXSID1061021FEMA 3504Methyl phenylmethyl disulfide, 9CI4-06-00-02759 (Beilstein Handbook Reference)
Database identifiers
- CAS
699-10-5- PubChem CID
- 12779
- DTXSID
DTXSID1061021- ChEMBL
CHEMBL95973- ChEBI
CHEBI:173775
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.840 (d20/4)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point
195.00 to 197.00 °C. @ 760.00 mm Hg
82-86 °C (0.8 mm Hg)
Melting Point61.00 to 62.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 259.97 °C · 259.97°C (rough estimate)
- Density
- 1.1604 · 1.1604 (rough estimate)
- refractive index
- 1.621 · 1.6210 (estimate)
- FEMA
- 3504 · 3504 | METHYL BENZYL DISULFIDE
- FLAVIS Number
- 12.068 · 12.068 | Benzyl methyl disulfide
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Disulfide, methyl phenylmethyl
Disulfide, methyl phenylmethyl: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDisulfide, methyl phenylmethyl: INACTIVE
Applications
UsesMethyl benzyl disulfide can be used to synthesize fragrances and water-soluble flavorings; it can also be used as an intermediate in scientific research and laboratory studies.
OccurrenceReported found in cocoa powder, roasted cocoa and roasted peanut.
Upstream & downstream products
Downstream products
Suppliers36 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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