4-Methoxy-2-methyl-2-butanethiol

Name: 4-Methoxy-2-methyl-2-butanethiol
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160604

CAS 94087-83-9C6H14OSMW 134.08 g/mol

4-Methoxy-2-methyl-2-butanethiol (CAS 94087-83-9) — formula C6H14OS, molecular weight 134.08 g/mol.

Specifications

CAS Number94087-83-9

Molecular FormulaC6H14OS

Molecular Weight134.08 g/mol

Boiling Point159.00 to 160.00 °C. @ 760.00 mm Hg

LogP1.3

Purchase Profile

What this product is

4-Methoxy-2-methyl-2-butanethiol is a chemical compound with CAS registry number 94087-83-9 and molecular formula C6H14OS (molecular weight 134.08 g/mol).

Identification

CAS number: 94087-83-9

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

Also known as: 4-Methoxy-2-methyl-2-butanethiol · 4-methoxy-2-methylbutane-2-thiol

Frequently Asked Questions

What is the CAS number of 4-Methoxy-2-methyl-2-butanethiol?

The CAS registry number of 4-Methoxy-2-methyl-2-butanethiol is 94087-83-9.

What is the molecular formula and molecular weight of 4-Methoxy-2-methyl-2-butanethiol?

Molecular formula C6H14OS, molecular weight 134.08 g/mol.

What other names is 4-Methoxy-2-methyl-2-butanethiol known by?

It is also registered under: 4-Methoxy-2-methyl-2-butanethiol, 4-methoxy-2-methylbutane-2-thiol.

PubChem Public Data

Public-database records for 4-Methoxy-2-methyl-2-butanethiol (CAS 94087-83-9), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H226 (100%), H302 (91.8%)

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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, Cat No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

colourless liquid
insoluble in water; soluble in ethanol
(in ethanol)

Reported physical properties

沸点	159.00 to 160.00 °C. @ 760.00 mm Hg
沸点	59 °C

How this substance is indexed

CAS Registry Number	94087-83-9
PubChem CID	526195
分子式	C6H14OS
分子量	134.08 g/mol
IUPAC 名称	4-methoxy-2-methylbutane-2-thiol
InChIKey	XVHGKKGBUDMTIQ-UHFFFAOYSA-N
UNII（FDA）	X72J2YFL9Y
ChEBI 编号	CHEBI:193637
FEMA 编号	3785
JECFA 编号	548

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
2-Butanethiol, 4-methoxy-2-methyl-: ACTIVE

Names this substance appears under

4-Methoxy-2-methyl-2-butanethiol; 4-Methoxy-2-methylbutane-2-thiol; 94087-83-9; 2-Butanethiol, 4-methoxy-2-methyl-; EINECS 301-977-9; X72J2YFL9Y; 4-Methoxy-2-methyl-2-mercaptobutane; DTXSID9052634; FEMA NO. 3785; 2-MERCAPTO-4-METHOXY-2-METHYLBUTANE; 4-METHOXY-2-METHYL-2-BUTANETHIOL [FHFI]; RefChem:524534; DTXCID6031207; 301-977-9; 4-methoxy-2-methyl-butane-2-thiol; 4-methoxy-2-methylbutanethiol-2

Computed molecular descriptors

分子量	134.24
XLogP3	1.3
氢键供体数	1
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	10.2
重原子数	8
形式电荷	0

Database abstract

4-Methoxy-2-methyl-2-butanethiol is identified by CAS 94087-83-9, molecular formula C6H14OS and molecular weight 134.08 g/mol. UNII X72J2YFL9Y; ChEBI 193637; InChIKey XVHGKKGBUDMTIQ-UHFFFAOYSA-N. 沸点: 159.00 to 160.00 °C. @ 760.00 mm Hg; 沸点: 59 °C.

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

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