3-(Methylthio)-1-hexanol

Name: 3-(Methylthio)-1-hexanol
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160248

CAS 51755-66-9C7H16OSMW 148.09 g/mol

3-(Methylthio)-1-hexanol (CAS 51755-66-9) — formula C7H16OS, molecular weight 148.09 g/mol.

Specifications

CAS Number51755-66-9

Molecular FormulaC7H16OS

Molecular Weight148.09 g/mol

Boiling Point140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg)

LogP1.9

Purchase Profile

What this product is

3-(Methylthio)-1-hexanol is a chemical compound with CAS registry number 51755-66-9 and molecular formula C7H16OS (molecular weight 148.09 g/mol).

Identification

CAS number: 51755-66-9

Its molecular formula C7H16OS comprises 7 C, 16 H, 1 O, 1 S atoms.

Also known as: 3-(Methylthio)-1-hexanol · 3-METHYLTHIO-1-HEXANOL

Frequently Asked Questions

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

The CAS registry number of 3-(Methylthio)-1-hexanol is 51755-66-9.

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

Molecular formula C7H16OS, molecular weight 148.09 g/mol.

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

It is also registered under: 3-(Methylthio)-1-hexanol, 3-METHYLTHIO-1-HEXANOL.

PubChem Public Data

Public-database records for 3-(Methylthio)-1-hexanol (CAS 51755-66-9), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	1.8% (27 / 1475)
Reported hazard statements	H315 (91.1%), H319 (91.3%), H335 (98.1%)

This chemical does not meet GHS hazard criteria for 1.8% (27 of 1475) of reports.

H315 (91.1%): 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 Black Currant, Fruit, Melon No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	1.8% (27 / 1475)

Physical description and handling notes

colourless liquid with sulfurous onion, garlic green vegetable odour
insoluble in water
(in ethanol)

Reported physical properties

沸点	140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg)
密度	0.964-0.974 (20 °C)
折射率	1.474-1.489

How this substance is indexed

CAS Registry Number	51755-66-9
PubChem CID	65413
分子式	C7H16OS
分子量	148.09 g/mol
IUPAC 名称	3-methylsulfanylhexan-1-ol
InChIKey	JSASXSHMJYRPCM-UHFFFAOYSA-N
UNII（FDA）	CFU4A74TQT
FEMA 编号	3438
JECFA 编号	463

Documented uses

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

Names this substance appears under

3-(Methylthio)-1-hexanol; 51755-66-9; 3-(Methylthio)hexan-1-ol; 3-methylsulfanylhexan-1-ol; 1-Hexanol, 3-(methylthio)-; 3-(Methylmercapto)-1-hexanol; FEMA No. 3438; CFU4A74TQT; 3-methylthio-1-hexanol; 3-(methyl thio) hexanol; EINECS 257-380-8; AI3-37114; 3-METHYLTHIO-1-HEXANOL [FHFI]; RefChem:495589; (+-)-3-(METHYLTHIO)-1-HEXANOL; 3-(METHYLTHIO)-1-HEXANOL, (+-)

Computed molecular descriptors

分子量	148.27
XLogP3	1.9
氢键供体数	1
氢键受体数	2
可旋转键数	5
精确质量	148.09218630
单同位素质量	148.09218630
拓扑极性表面积	45.5
重原子数	9
形式电荷	0

Database abstract

3-(Methylthio)-1-hexanol is identified by CAS 51755-66-9, molecular formula C7H16OS and molecular weight 148.09 g/mol. UNII CFU4A74TQT; InChIKey JSASXSHMJYRPCM-UHFFFAOYSA-N. 沸点: 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg); 密度: 0.964-0.974 (20 °C); Refractive Index: 1.474-1.489.

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

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