3-Mercapto-2-methylpentan-1-ol

Name: 3-Mercapto-2-methylpentan-1-ol
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160369

CAS 227456-27-1C6H14OSMW 134.08 g/mol

3-Mercapto-2-methylpentan-1-ol (CAS 227456-27-1) — formula C6H14OS, molecular weight 134.08 g/mol.

Specifications

CAS Number227456-27-1

Molecular FormulaC6H14OS

Molecular Weight134.08 g/mol

Boiling Point50.00 °C. @ 0.50 mm Hg

LogP1.6

Purchase Profile

What this product is

3-Mercapto-2-methylpentan-1-ol is a chemical compound with CAS registry number 227456-27-1 and molecular formula C6H14OS (molecular weight 134.08 g/mol).

Identification

CAS number: 227456-27-1

Its molecular formula C6H14OS comprises 6 C, 14 H, 1 O, 1 S atoms.

Also known as: 3-Mercapto-2-methylpentan-1-ol · 3-Mercapto-2-methylpenta-1-ol

Frequently Asked Questions

What is the CAS number of 3-Mercapto-2-methylpentan-1-ol?

The CAS registry number of 3-Mercapto-2-methylpentan-1-ol is 227456-27-1.

What is the molecular formula and molecular weight of 3-Mercapto-2-methylpentan-1-ol?

Molecular formula C6H14OS, molecular weight 134.08 g/mol.

What other names is 3-Mercapto-2-methylpentan-1-ol known by?

It is also registered under: 3-Mercapto-2-methylpentan-1-ol, 3-Mercapto-2-methylpenta-1-ol.

PubChem Public Data

Public-database records for 3-Mercapto-2-methylpentan-1-ol (CAS 227456-27-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H302 (100%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Gravy, Leek, Meat Broth, Onion No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

Clear liquid; onion like aroma
slightly
Slightly soluble in water; soluble in organic solvents
soluble (in ethanol)

Reported physical properties

沸点	50.00 °C. @ 0.50 mm Hg
沸点	50 °C (0.5 mm Hg)
密度	0.985-0.995
折射率	1.480-1.490

How this substance is indexed

CAS Registry Number	227456-27-1
PubChem CID	6430888
分子式	C6H14OS
分子量	134.08 g/mol
IUPAC 名称	2-methyl-3-sulfanylpentan-1-ol
InChIKey	HABNNYNSJFKZFE-UHFFFAOYSA-N
UNII（FDA）	7XRY329G5S
ChEBI 编号	CHEBI:193636
FEMA 编号	3996
JECFA 编号	1291

Documented uses

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

Names this substance appears under

227456-27-1; 3-mercapto-2-methylpentan-1-ol; 1-Pentanol, 3-mercapto-2-methyl-; FEMA no. 3996; 7XRY329G5S; 3-Mercapto-2-methylpentan-1-ol (racemic); RefChem:94533; 607-151-7; 3-Mercapto-2-methylpenta-1-ol; 2-methyl-3-sulfanylpentan-1-ol; 3-mercapto-2-methylpentanol; 3-mercapto-2-methyl-1-pentanol; MFCD08741458; 3-Mercapto-2-methylpentan-1-ol, (+/-)-; 3-Mercapto-2-methylpentan-1-ol (racemic) [FHFI]; 2-methyl-3-sulfanyl-pentan-1-ol

Computed molecular descriptors

分子量	134.24
XLogP3	1.6
氢键供体数	2
氢键受体数	2
可旋转键数	3
精确质量	134.07653624
单同位素质量	134.07653624
拓扑极性表面积	21.2
重原子数	8
形式电荷	0

Database abstract

3-Mercapto-2-methylpentan-1-ol is identified by CAS 227456-27-1, molecular formula C6H14OS and molecular weight 134.08 g/mol. UNII 7XRY329G5S; ChEBI 193636; InChIKey HABNNYNSJFKZFE-UHFFFAOYSA-N. 沸点: 50.00 °C. @ 0.50 mm Hg; 沸点: 50 °C (0.5 mm Hg); 密度: 0.985-0.995.

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

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