(甲硫基)甲硫醇

Description

Methylthiomethylmercaptan is identified by CAS 29414-47-9, molecular formula C2H6S2 and molecular weight 93.99 g/mol. UNII W4XPB1I3RA; InChIKey IXBUFAUQDFHNGI-UHFFFAOYSA-N. Boiling Point: 40 °C (20 mm Hg); Density: 1.040-1.046; Refractive Index: 1.552-1.556.

Identification

CAS Registry Number	29414-47-9
PubChem CID	122370
Molecular formula	C2H6S2
Molecular weight	93.99 g/mol
IUPAC name	methylsulfanylmethanethiol
InChIKey	IXBUFAUQDFHNGI-UHFFFAOYSA-N
UNII (FDA)	W4XPB1I3RA
FEMA number	4185
JECFA number	1675

Computed Descriptors

Molecular Weight	94.20
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	93.99109254
Monoisotopic Mass	93.99109254
Topological Polar Surface Area	26.3
Heavy Atom Count	4
Formal Charge	0

Physical & Chemical Properties

Boiling Point	40 °C (20 mm Hg)
Density	1.040-1.046
Refractive Index	1.552-1.556

Physical description & handling notes

• Almost colourless liquid; Pungent, sulfureous aroma
• Soluble in water
• Soluble (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

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

(Methylthio)methanethiol; MeSCH2SH; RefChem:818723; METHYLTHIOMETHYLMERCAPTAN; Methylsulfanylmethanethiol; 29414-47-9; methyl thiomethyl mercaptan; Methanethiol, (methylthio)-; (methylsulfanyl)methanethiol; FEMA No. 4185; Methylthiomethylmercaptan [FHFI]; W4XPB1I3RA; UNII-W4XPB1I3RA; Dithiomethane, methyl; SCHEMBL231270; SCHEMBL582943

Frequently Asked Questions

What are the CAS number and molecular formula of Methylthiomethylmercaptan?

CAS 29414-47-9; molecular formula C2H6S2; molecular weight 93.99 g/mol.

What other names is Methylthiomethylmercaptan known by?

(Methylthio)methanethiol, MeSCH2SH, RefChem:818723, METHYLTHIOMETHYLMERCAPTAN, Methylsulfanylmethanethiol, 29414-47-9.

What is the regulatory status of Methylthiomethylmercaptan?

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

What are the key physical properties of Methylthiomethylmercaptan?

Boiling Point: 40 °C (20 mm Hg); Density: 1.040-1.046; Refractive Index: 1.552-1.556.

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.