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2-Hydroxy-2-methylbutyric acid ethyl ester

2-Hydroxy-2-methylbutyric acid ethyl ester structure

CAS No:
77-70-3
Formula:
C7H14O3
Chemical Name:
2-Hydroxy-2-methylbutyric acid ethyl ester
Synonyms:
Butanoic acid,2-hydroxy-2-methyl-,ethyl ester;Butyric acid,2-hydroxy-2-methyl-,ethyl ester;2-Hydroxy-2-methylbutyric acid ethyl ester;Butanoic acid,2-hydroxy-2-methyl-,ethyl ester,(±)-;72332-34-4

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Description

Clear, colorless liquid; caramelized, nutty aroma

Clear, colourless liquid; Caramelised, nutty aroma

(+/-)-Ethyl 2-hydroxy-2-methylbutyrate is a fatty acid ester.

2-Hydroxy-2-methylbutyric acid ethyl ester Basic Attributes

Molecular Weight：

146.18426

Exact Mass：

146.18

EC Number：

201-050-8

Characteristics

PSA：

46.53000

XLogP3：

0.71050

Appearance：

Clear, colourless liquid; Caramelised, nutty aroma

Density：

1.007g/cm3

Boiling Point：

68-70 °C @ Press: 25 Torr

Flash Point：

55.3ºC

Refractive Index：

1.433

Water Solubility：

Sparingly soluble in water; soluble in most non-polar organic solvents

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 91 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Hydroxy-2-methylbutyric acid ethyl ester Use and Manufacturing

Manufacturing Info：

Butanoic acid, 2-hydroxy-2-methyl-, ethyl ester: INACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:146.18
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:146.094294304
Monoisotopic Mass:146.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:10
Complexity:122
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Hydroxy-2-methylbutyric acid ethyl ester

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

2-Hydroxy-2-methylbutyric acid ethyl ester

SDS

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