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3-Methyl-3-buten-1-yl acetate

3-Methyl-3-buten-1-yl acetate structure

CAS No:
5205-07-2
Formula:
C7H12O2
Chemical Name:
3-Methyl-3-buten-1-yl acetate
Synonyms:
3-Buten-1-ol,3-methyl-,1-acetate;3-Buten-1-ol,3-methyl-,acetate;3-Methyl-3-buten-1-ol acetate;3-Methyl-3-butenyl acetate;3-Methyl-3-buten-1-yl acetate;1-Acetoxy-3-methyl-3-butene
Categories:
Cosmetic Ingredient > Perfuming

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Description

Isoprenyl acetate has a fruity aroma.

Clear colourless to slightly yellow liquid; fruity aroma

3-Methyl-3-butenyl acetate is a carboxylic ester.

3-Methyl-3-buten-1-yl acetate Basic Attributes

Molecular Weight：

128.16900

Exact Mass：

128.17

EC Number：

225-996-6

UNII：

962IG82H5B

Characteristics

PSA：

26.30000

XLogP3：

1.51570

Appearance：

Clear colourless to slightly yellow liquid; fruity aroma

Density：

0.9104 g/cm³ @ Temp: 20 °C

Boiling Point：

142-145 °C

Flash Point：

56.8ºC

Refractive Index：

1.416

Water Solubility：

insoluble in water; soluble in organic solvents

Safety Information

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 115 companies from 1 notifications to the ECHA C&L Inventory.

3-Methyl-3-buten-1-yl acetate Use and Manufacturing

Manufacturing Info：

3-Buten-1-ol, 3-methyl-, 1-acetate: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:128.17
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-3-buten-1-yl acetate

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

3-Methyl-3-buten-1-yl acetate

SDS

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