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2-Methylbutyl butyrate

2-Methylbutyl butyrate structure

CAS No:
51115-64-1
Formula:
C9H18O2
Chemical Name:
2-Methylbutyl butyrate
Synonyms:
Butanoic acid,2-methylbutyl ester;2-Methylbutyl butyrate;2-Methylbutyl butanoate;2-Methylbutyl n-butyrate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colorless or slightly yellow transparent liquid

2-methylbutyl butanoate is a butyrate ester. It derives from a 2-methylbutan-1-ol.

2-Methylbutyl butyrate Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

EC Number：

256-973-9

Characteristics

PSA：

26.3

XLogP3：

2.37580

Density：

0.874g/cm3

Melting Point：

-73°C (estimate)

Boiling Point：

176.5ºC at 760mmHg

Flash Point：

59.4ºC

Refractive Index：

1.416

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1993

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (91.28%): 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 571 companies from 5 notifications to the ECHA C&L Inventory.

2-Methylbutyl butyrate Use and Manufacturing

Manufacturing Info：

Butanoic acid, 2-methylbutyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:110
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 51115-64-1

Grade: food grade

Content: 98%

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Guide of 2-Methylbutyl butyrate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Methylbutyl butyrate

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