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(±)-2-Hydroxy-2-methylbutyric acid

(±)-2-Hydroxy-2-methylbutyric acid structure

CAS No:
3739-30-8
Formula:
C5H10O3
Chemical Name:
(±)-2-Hydroxy-2-methylbutyric acid
Synonyms:
Butanoic acid,2-hydroxy-2-methyl-;Butyric acid,2-hydroxy-2-methyl-;Butyric acid,α-hydroxy-α-methyl-;2-Hydroxy-2-methylbutanoic acid;α-Hydroxy-α-methylbutyric acid;2-Hydroxy-2-methylbutyric acid;2-Methyl-2-hydroxybutyric acid;(±)-α-Hydroxy-α-methylbutyric acid;(±)-2-Hydroxy-2-methylbutyric acid;(±)-2-Hydroxy-2-methylbutanoic acid;NSC 9458;37505-03-6

Description

2-Hydroxy-2-methylbutanoic acid, an unusual metabolite, is associated with 2-hydroxyglutaric aciduria and maple syrup urine disease.

Solid

2-hydroxy-2-methylbutyric acid is a branched-chain fatty acid that is 2-methylbutyric acid substituted at C-2 by a hydroxy group. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid. It derives from a 2-methylbutyric acid.

(±)-2-Hydroxy-2-methylbutyric acid Basic Attributes

Molecular Weight：

118.132

Exact Mass：

118.13

EC Number：

223-120-7

NSC Number：

9458

HScode：

2918199090

Characteristics

PSA：

57.5

XLogP3：

0.18

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

74 °C

Boiling Point：

133-134 °C @ Press: 16 Torr

Flash Point：

111.8±16.3 °C

Refractive Index：

1.460

Water Solubility：

within almost transparency

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-hydroxy-2-methylbutyric acid

(±)-2-Hydroxy-2-methylbutyric acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Computed Properties

Molecular Weight:118.13
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:118.062994177
Monoisotopic Mass:118.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:8
Complexity:99.8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (±)-2-Hydroxy-2-methylbutyric acid

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2-Hydroxy-2-methylbutyric acid

CAS No.: 3739-30-8

Content: 99.00%

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Guide of (±)-2-Hydroxy-2-methylbutyric acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(±)-2-Hydroxy-2-methylbutyric acid

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