3-(Methylthio)-1-hexyl acetate

Name: 3-(Methylthio)-1-hexyl acetate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160691

CAS 51755-85-2C9H18O2SMW 190.31

3-(Methylthio)-1-hexyl acetate (CAS 51755-85-2) — formula C9H18O2S, molecular weight 190.31.

Specifications

CAS Number51755-85-2

Molecular FormulaC9H18O2S

Molecular Weight190.31

Boiling Point75 °C (5 mm Hg)

LogP2.4

ApplicationsUse Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index

Where it is used

Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.

Purchase Profile

What this product is

3-(Methylthio)-1-hexyl acetate is a chemical compound with CAS registry number 51755-85-2 and molecular formula C9H18O2S (molecular weight 190.31).

Identification

CAS number: 51755-85-2

Its molecular formula C9H18O2S comprises 9 C, 18 H, 2 O, 1 S atoms.

Also known as: 3-(Methylthio)-1-hexyl acetate · 3-methylthiohexyl acetate

Frequently Asked Questions

What is the CAS number of 3-(Methylthio)-1-hexyl acetate?

The CAS registry number of 3-(Methylthio)-1-hexyl acetate is 51755-85-2.

What is the molecular formula and molecular weight of 3-(Methylthio)-1-hexyl acetate?

Molecular formula C9H18O2S, molecular weight 190.31.

What other names is 3-(Methylthio)-1-hexyl acetate known by?

It is also registered under: 3-(Methylthio)-1-hexyl acetate, 3-methylthiohexyl acetate.

What are the documented applications of 3-(Methylthio)-1-hexyl acetate?

Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.

PubChem Public Data

Public-database records for 3-(Methylthio)-1-hexyl acetate (CAS 51755-85-2), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	67.4% (89 / 132)
Reported hazard statements	H315 (32.6%)

This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.

H315 (32.6%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Durian, Fat, Fruit, Mango No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	67.4% (89 / 132)

Physical description and handling notes

colourless liquid
soluble in water and fat
(in ethanol)

Reported physical properties

沸点	75 °C (5 mm Hg)
密度	0.982-0.990
折射率	1.461-1.469

How this substance is indexed

CAS Registry Number	51755-85-2
PubChem CID	62013
分子式	C9H18O2S
IUPAC 名称	3-methylsulfanylhexyl acetate
UNII（FDA）	0GEW9KKA0D
FEMA 编号	3789
JECFA 编号	481

Documented uses

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

Names this substance appears under

3-(Methylthio)hexyl acetate; 51755-85-2; 3-(Methylthio)-1-hexyl acetate; FEMA No. 3789; 0GEW9KKA0D; 1-Hexanol, 3-(methylthio)-, acetate; 1-Hexanol, 3-(methylthio)-, 1-acetate; 3-(METHYLTHIO) HEXYL ACETATE [FHFI]; RefChem:495600; 3-(METHYLTHIO) HEXYL ACETATE; (+-)-3-(METHYLTHIO)HEXYL ACETATE; 3-(METHYLTHIO)HEXYL ACETATE, (+-)-; 610-722-3; 3-methylsulfanylhexyl acetate; 3-(Methylsulfanyl)hexyl acetate; (S)-3-Methylthiohexyl acetate

Computed molecular descriptors

分子量	190.31
XLogP3	2.4
氢键供体数	0
氢键受体数	3
可旋转键数	7
精确质量	190.10275099
单同位素质量	190.10275099
拓扑极性表面积	51.6
重原子数	12
形式电荷	0

Database abstract

3-(Methylthio)-1-hexyl acetate · CAS 51755-85-2 · C9H18O2S. UNII 0GEW9KKA0D. 沸点: 75 °C (5 mm Hg); 密度: 0.982-0.990; Refractive Index: 1.461-1.469.

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

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