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4-Methoxy-2-methyl-2-butanethiol

4-Methoxy-2-methyl-2-butanethiol structure

CAS No:
94087-83-9
Formula:
C6H14OS
Chemical Name:
4-Methoxy-2-methyl-2-butanethiol
Synonyms:
2-Butanethiol,4-methoxy-2-methyl-;4-Methoxy-2-methyl-2-butanethiol;2-Mercapto-4-methoxy-2-methylbutane
Categories:
Cosmetic Ingredient > Perfuming

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Description

4-Methoxy-2-methyl-2-butanethiol has a black-currant-like flavor.

colourless liquid

4-Methoxy-2-methyl-2-butanethiol Basic Attributes

Molecular Weight：

134.24

Exact Mass：

134.24

EC Number：

301-977-9

UNII：

X72J2YFL9Y

DSSTox ID：

DTXSID9052634

HScode：

2930909090

Characteristics

PSA：

10.2

XLogP3：

1.73130

Density：

0.906g/cm3

Boiling Point：

159.1ºC at 760mmHg

Flash Point：

50ºC

Refractive Index：

1.445

Water Solubility：

2263 mg/L @ 25 °C (est)|insoluble in water; soluble in ethanol

Safety Information

Transport codes：

UN 1993C 3 / PGIII

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1442 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Methoxy-2-methyl-2-butanethiol Use and Manufacturing

Manufacturing Info：

2-Butanethiol, 4-methoxy-2-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:134.24
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:134.07653624
Monoisotopic Mass:134.07653624
Topological Polar Surface Area:10.2
Heavy Atom Count:8
Complexity:61.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methoxy-2-methyl-2-butanethiol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

4-Methoxy-2-methyl-2-butanethiol

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