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3-Methyl-2-butene-1-thiol

3-Methyl-2-butene-1-thiol structure

CAS No:
5287-45-6
Formula:
C5H10S
Chemical Name:
3-Methyl-2-butene-1-thiol
Synonyms:
2-Butene-1-thiol,3-methyl-;3-Methyl-2-butene-1-thiol;Prenyl mercaptan;Prenylthiol;MBT;3-Methyl-1-mercapto-2-butene;3-Methyl-2-buten-1-thiol
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Yellow Liquid

Clear colourless liquid

3-Methyl-2-butene-1-thiol is an alkanethiol.

3-Methyl-2-butene-1-thiol Basic Attributes

Molecular Weight：

102.2

Exact Mass：

102.20

UNII：

FDG262156U

DSSTox ID：

DTXSID00200907

HScode：

2930909090

Characteristics

PSA：

XLogP3：

2.58

Appearance：

Clear colourless liquid

Density：

0.8987 g/cm³ @ Temp: 100 °C

Boiling Point：

125-127 °C

Flash Point：

45.7±8.9 °C

Refractive Index：

1.469

Water Solubility：

insoluble in water; soluble in ethanol, triacetin and heptane

Storage Conditions：

Freezer

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3336 3/PG III

Stability/Shelf Life：

Readily Oxidized

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 156 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-methyl-2-butene-1-thiol

3-Methyl-2-butene-1-thiol Use and Manufacturing

Uses

Important compounds in coffee aroma

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:102.20
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:102.05032149
Monoisotopic Mass:102.05032149
Topological Polar Surface Area:1
Heavy Atom Count:6
Complexity:51
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5287-45-6

Grade: Chemical Grade

Content: 99%

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3-Methyl-2-buten-1-thiol 99% powder ZSLPF

CAS No.: 5287-45-6

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Guide of 3-Methyl-2-butene-1-thiol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Methyl-2-butene-1-thiol

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