3,4,5-TRITHIAOCTANE

CAS 31499-70-4C5H12S3MW 168.4

3,4,5-TRITHIAOCTANE (CAS 31499-70-4) — formula C5H12S3, molecular weight 168.4; category organic chemicals.

Product Overview

CAS Number	31499-70-4
Molecular Formula	C5H12S3
Molecular Weight	168.4
Boiling Point	234-237 °C
LogP	2.6
Category	Organic Chemicals

Technical Profile

What this product is

3,4,5-TRITHIAOCTANE is a carbon-based organic compound with CAS registry number 31499-70-4 and molecular formula C5H12S3 (molecular weight 168.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 31499-70-4

Its molecular formula C5H12S3 comprises 5 C, 12 H, 3 S atoms.

Also known as: 3,4,5-TRITHIAOCTANE · 乙基丙基三硫醚

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3,4,5-TRITHIAOCTANE?

The CAS registry number of 3,4,5-TRITHIAOCTANE is 31499-70-4.

What is the molecular formula and molecular weight of 3,4,5-TRITHIAOCTANE?

Molecular formula C5H12S3, molecular weight 168.4.

What other names is 3,4,5-TRITHIAOCTANE known by?

It is also registered under: 3,4,5-TRITHIAOCTANE, 乙基丙基三硫醚.

Which category does 3,4,5-TRITHIAOCTANE belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 3,4,5-TRITHIAOCTANE (CAS 31499-70-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	31499-70-4
PubChem CID	53425122
分子式	C5H12S3
IUPAC 名称	1-(ethyltrisulfanyl)propane
UNII（FDA）	4SOS6O9G2X
FEMA 编号	4042
JECFA 编号	1695

Computed descriptors

Molecular Weight	168.4
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	168.01011390
Monoisotopic Mass	168.01011390
Topological Polar Surface Area	75.9
Heavy Atom Count	8

Physicochemical values on record

Boiling Point	234-237 °C
Density	1.071-1.083 (20 °C)
Refractive Index	1.544-1.559

Synonyms and trade names

1-(Ethyltrisulfanyl)propane; 31499-70-4; Trisulfide, ethyl propyl; UNII-4SOS6O9G2X; FEMA No. 4042, ethyl propyl-; 4SOS6O9G2X; DTXSID10185397; RefChem:74687; DTXCID20107888; Ethyl propyl trisulfide; 1-ETHYL-3-PROPYLTRISULFANE; SCHEMBL15686216; SHEIYCJSZOMHMI-UHFFFAOYSA-N; AKOS006288250; NS00125299; Q27260439

Regulatory listings held on file

法规与食品接触	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Roasted, Rubber No safety concern at current levels of intake when used as a flavouring agent

What the public record says

乙基丙基三硫醚 · CAS 31499-70-4 · C5H12S3. UNII 4SOS6O9G2X. Boiling Point: 234-237 °C; Density: 1.071-1.083 (20 °C); Refractive Index: 1.544-1.559.

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

3,4,5-TRITHIAOCTANE

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Synonyms and trade names

Regulatory listings held on file

What the public record says

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