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Ethyl 3-hydroxy-3-methylbutanoate

Ethyl 3-hydroxy-3-methylbutanoate structure

CAS No:
18267-36-2
Formula:
C7H14O3
Chemical Name:
Ethyl 3-hydroxy-3-methylbutanoate
Synonyms:
Butanoic acid,3-hydroxy-3-methyl-,ethyl ester;Butyric acid,3-hydroxy-3-methyl-,ethyl ester;Ethyl 3-hydroxy-3-methylbutyrate;Ethyl 3-hydroxy-3-methylbutanoate;Ethyl β-hydroxyisovalerate

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Ethyl 3-hydroxy-3-methylbutanoate Basic Attributes

Molecular Weight：

146.18

Exact Mass：

146.18

EC Number：

242-147-5

DSSTox ID：

DTXSID70171317

HScode：

2918199090

Characteristics

PSA：

46.53000

XLogP3：

0.71050

Density：

0.9740 g/cm³ @ Temp: 25 °C

Melting Point：

141-142.5 °C

Boiling Point：

179-180 °C

Flash Point：

83.8ºC

Refractive Index：

1.433

Vapor Pressure：

0.0316mmHg at 25°C

PKA：

14.52±0.29

Safety Information

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:146.18
XLogP3:0.4
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:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-hydroxy-3-methylbutanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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