2,4,6-TRITHIAHEPTANE

Description

2,4,6-TRITHIAHEPTANE is identified by CAS 6540-86-9, molecular formula C4H10S3 and molecular weight 153.99 g/mol. UNII NUN90O9MA6; ChEBI 173655; InChIKey PQFOEUXAUYRCAY-UHFFFAOYSA-N. Boiling Point: 255.00 °C. @ 760.00 mm Hg; Boiling Point: 250-255 °C.

Identification

CAS Registry Number	6540-86-9
PubChem CID	399848
Molecular formula	C4H10S3
Molecular weight	153.99 g/mol
IUPAC name	methylsulfanyl(methylsulfanylmethylsulfanyl)methane
InChIKey	PQFOEUXAUYRCAY-UHFFFAOYSA-N
UNII (FDA)	NUN90O9MA6
ChEBI ID	CHEBI:173655
FEMA number	4214
JECFA number	1684

Computed Descriptors

Molecular Weight	154.3
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	153.99446384
Monoisotopic Mass	153.99446384
Topological Polar Surface Area	75.9
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	255.00 °C. @ 760.00 mm Hg
Boiling Point	250-255 °C

Physical description & handling notes

• Clear, almost colourless liquid; Cooked brown roasted aroma
• Soluble in triacetin
• 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
GHS notification summary	0.8% (1 / 122)

GHS Hazard Classification

GHS notification summary	0.8% (1 / 122)
Reported hazard statements	H302 (95.1%), H315 (99.2%), H319 (99.2%), H335 (99.2%)

Documented Uses

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

Synonyms

2,4,6-TRITHIAHEPTANE; 6540-86-9; Bis(methylthiomethyl) sulfide; FEMA No. 4214; 2,4,6-Trithiaheptane [FHFI]; Sulfide, bis((methylthio)methyl); NUN90O9MA6; Methane, 1,1'-thiobis(1-(methylthio)-; (METHYLSULFANYL)({[(METHYLSULFANYL)METHYL]SULFANYL})METHANE; DTXSID20215715; (methylsulfanyl)((((methylsulfanyl)methyl)sulfanyl))methane; RefChem:443018; DTXCID50138206; 613-792-3; methylsulfanyl(methylsulfanylmethylsulfanyl)methane; UNII-NUN90O9MA6

Frequently Asked Questions

What are the CAS number and molecular formula of 2,4,6-TRITHIAHEPTANE?

CAS 6540-86-9; molecular formula C4H10S3; molecular weight 153.99 g/mol.

What other names is 2,4,6-TRITHIAHEPTANE known by?

2,4,6-TRITHIAHEPTANE, 6540-86-9, Bis(methylthiomethyl) sulfide, FEMA No. 4214, 2,4,6-Trithiaheptane [FHFI], Sulfide, bis((methylthio)methyl).

What is the regulatory status of 2,4,6-TRITHIAHEPTANE?

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

Is 2,4,6-TRITHIAHEPTANE classified as hazardous?

0.8% of GHS notifications report no hazard classification (1 of 122).

What are the key physical properties of 2,4,6-TRITHIAHEPTANE?

Boiling Point: 255.00 °C. @ 760.00 mm Hg; Boiling Point: 250-255 °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.