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3-Methyl-3-buten-1-ol

3-Methyl-3-buten-1-ol structure

CAS No:
763-32-6
Formula:
C5H10O
Chemical Name:
3-Methyl-3-buten-1-ol
Synonyms:
3-Buten-1-ol,3-methyl-;3-Methyl-3-buten-1-ol;3-Isopentenyl alcohol;2-Methyl-1-buten-4-ol;Isobutenylcarbinol;Isopropenylethyl alcohol;Methallylcarbinol;3-Methylenebutan-1-ol;3-Methyl-3-butenol;2-Methyl-4-hydroxy-1-butene;Isoprenol;3-Methyl-3-butene-1-ol;4-Hydroxy-2-methyl-1-butene;NSC 122673
Categories:
Cosmetic Ingredient > Perfuming

Description

clear colorless to light yellow liquid

Isopentenyl alcohol is a primary alcohol having the structure of isopentyl alcohol but with a double bond between C-3 and one of the C-4 atoms. It has a role as a metabolite. It is a primary alcohol and a homoallylic alcohol.

3-Methyl-3-buten-1-ol Basic Attributes

Molecular Weight：

86.1323

Exact Mass：

86.13

BRN：

1071239

EC Number：

212-110-8

UNII：

KJ25C8CPFA

NSC Number：

122673

DSSTox ID：

DTXSID4052506

HScode：

29052900

Characteristics

PSA：

20.2

XLogP3：

1.3

Appearance：

Clear colorless to light yellow Liquid

Density：

0.8509 g/cm³ @ Temp: 20 °C

Melting Point：

128-129 °C

Boiling Point：

132 °C

Flash Point：

97 °F

Refractive Index：

1.422

Storage Conditions：

Flammables area

Vapor Pressure：

3.55 mmHg

Explosive limit：

3.0-9.3%(V)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

10-36/37/38-41-36

safety instructions：

16-26-36-39-24

RTECS Number：

EM9473100

Marks：

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H226-H318

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 436 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

isobutenylcarbinol

3-Methyl-3-buten-1-ol Use and Manufacturing

Uses

Odor agents

Production

< 25,000 lb

Manufacturing Info：

Miscellaneous manufacturing|3-Buten-1-ol, 3-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:86.13
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:86.073164938
Monoisotopic Mass:86.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:47.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-3-buten-1-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Methyl-3-buten-1-ol

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