Benzyl methyl sulfide

Description

Benzyl methyl sulfide is identified by CAS 766-92-7, molecular formula C8H10S and molecular weight 138.05 g/mol. UNII Y3900RBK51; ChEBI 192308; InChIKey OFQPKKGMNWASPN-UHFFFAOYSA-N. Boiling Point: 196.00 to 198.00 °C. @ 760.00 mm Hg; Boiling Point: 197 °C; 133 °C (4mm Hg); 87-88 °C (11mm Hg); Melting Point: -30 °C.

Identification

CAS Registry Number	766-92-7
PubChem CID	13016
Molecular formula	C8H10S
Molecular weight	138.05 g/mol
IUPAC name	methylsulfanylmethylbenzene
InChIKey	OFQPKKGMNWASPN-UHFFFAOYSA-N
UNII (FDA)	Y3900RBK51
ChEBI ID	CHEBI:192308
FEMA number	3597
JECFA number	460

Computed Descriptors

Molecular Weight	138.23
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	138.05032149
Monoisotopic Mass	138.05032149
Topological Polar Surface Area	25.3
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	196.00 to 198.00 °C. @ 760.00 mm Hg
Boiling Point	197 °C; 133 °C (4mm Hg); 87-88 °C (11mm Hg)
Melting Point	-30 °C
Flash Point	73 °C
Density	1.015-1.020
Refractive Index	1.563-1.573

Physical description & handling notes

• Colorless liquid with odor of "stench"; Not miscible in water; [MSDSonline]
• Liquid
• colourless liquid
• slightly soluble in water; soluble in fats
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU 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 notification summary	0.1% (1 / 1375)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 1375)
Reported hazard statements	H302

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzene, [(methylthio)methyl]-: ACTIVE

Synonyms

Benzyl methyl sulfide; 766-92-7; Methyl benzyl sulfide; Benzyl methyl sulphide; Sulfide, benzyl methyl; 1-Phenyl-2-thiapropane; [(Methylsulfanyl)methyl]benzene; Benzene, [(methylthio)methyl]-; alpha-(Methylthio)toluene; Methylthiomethylbenzene; ((METHYLTHIO)METHYL)BENZENE; FEMA No. 3597; Benzene, ((methylthio)methyl)-; .alpha.-(Methylthio)toluene; NSC 75125; EINECS 212-174-7

Frequently Asked Questions

What are the CAS number and molecular formula of Benzyl methyl sulfide?

CAS 766-92-7; molecular formula C8H10S; molecular weight 138.05 g/mol.

What other names is Benzyl methyl sulfide known by?

Benzyl methyl sulfide, 766-92-7, Methyl benzyl sulfide, Benzyl methyl sulphide, Sulfide, benzyl methyl, 1-Phenyl-2-thiapropane.

What is the regulatory status of Benzyl methyl sulfide?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Benzyl methyl sulfide classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 1375).

What are the key physical properties of Benzyl methyl sulfide?

Boiling Point: 196.00 to 198.00 °C. @ 760.00 mm Hg; Boiling Point: 197 °C; 133 °C (4mm Hg); 87-88 °C (11mm Hg); Melting Point: -30 °C; Flash Point: 73 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.