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benzyl methyl disulphide

CAS 699-10-5C8H10S2MW 170.3

benzyl methyl disulphide (CAS 699-10-5) — formula C8H10S2, molecular weight 170.3; category organic chemicals.

Product Overview

CAS Number699-10-5
Molecular FormulaC8H10S2
Molecular Weight170.3
Melting Point61.00 to 62.00 °C. @ 760.00 mm Hg
Boiling Point195.00 to 197.00 °C. @ 760.00 mm Hg
LogP2.4
CategoryOrganic Chemicals

Technical Profile

What this product is

benzyl methyl disulphide is a carbon-based organic compound with CAS registry number 699-10-5 and molecular formula C8H10S2 (molecular weight 170.3), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 699-10-5

Its molecular formula C8H10S2 comprises 8 C, 10 H, 2 S atoms.

Also known as: benzyl methyl disulphide · 甲基苄基二硫醚 · Benzyl Methyl Disulfide · Methyl benzyl disulfide

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of benzyl methyl disulphide?

The CAS registry number of benzyl methyl disulphide is 699-10-5.

What is the molecular formula and molecular weight of benzyl methyl disulphide?

Molecular formula C8H10S2, molecular weight 170.3.

What other names is benzyl methyl disulphide known by?

It is also registered under: benzyl methyl disulphide, 甲基苄基二硫醚, Benzyl Methyl Disulfide, Methyl benzyl disulfide.

Which category does benzyl methyl disulphide belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for benzyl methyl disulphide (CAS 699-10-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number699-10-5
PubChem CID12779
Molecular formulaC8H10S2
Molecular weight170.02 g/mol
IUPAC name(methyldisulfanyl)methylbenzene
InChIKeyNWYGPVZOBBHKLI-UHFFFAOYSA-N
UNII (FDA)Q451CNJ59W
ChEBI IDCHEBI:173775
FEMA number3504
JECFA number577

Computed descriptors

Molecular Weight170.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass170.02239267
Monoisotopic Mass170.02239267
Topological Polar Surface Area50.6
Heavy Atom Count10

Physicochemical values on record

Boiling Point195.00 to 197.00 °C. @ 760.00 mm Hg
Boiling Point82-86 °C (0.8 mm Hg)
Melting Point61.00 to 62.00 °C. @ 760.00 mm Hg
Density0.840 (d20/4)

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    Benzyl methyl disulfide; Methyl benzyl disulfide; Disulfide, methyl phenylmethyl; Benzyldithiomethane; [(Methyldisulfanyl)methyl]benzene; Benzyl methyl disulphide; DISULFIDE, BENZYL METHYL; Methyl phenylmethyl disulfide; FEMA No. 3504; EINECS 211-826-8; UNII-Q451CNJ59W; NSC 677547; BRN 2079563; Q451CNJ59W; NSC-677547; METHYL BENZYL DISULPHIDE

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Savory
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH302 (100%), H315 (72.8%), H319 (72.8%), H335 (72.8%)

    H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

    H315 (72.8%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    Methyl benzyl disulfide is identified by CAS 699-10-5, molecular formula C8H10S2 and molecular weight 170.02 g/mol. UNII Q451CNJ59W; ChEBI 173775; InChIKey NWYGPVZOBBHKLI-UHFFFAOYSA-N. Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg; Boiling Point: 82-86 °C (0.8 mm Hg); Melting Point: 61.00 to 62.00 °C. @ 760.00 mm Hg.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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