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55453

Sigma-Aldrich

β-Hydroxyisovaleric acid

≥95.0% (T)

Synonym(s):

3-Hydroxy-3-methylbutyric acid

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About This Item

Empirical Formula (Hill Notation):
C5H10O3
CAS Number:
625-08-1
Molecular Weight:
118.13
Beilstein:
1743952
MDL number:
MFCD00059081
UNSPSC Code:
12352100
PubChem Substance ID:
57651529
NACRES:
NA.22

Assay

≥95.0% (T)

refractive index

n20/D 1.4415 (lit.)

bp

88 °C/1 mmHg (lit.)

mp

−80 °C (lit.)

density

0.938 g/mL at 25 °C (lit.)

SMILES string

CC(C)(O)CC(O)=O

InChI

1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)

InChI key

AXFYFNCPONWUHW-UHFFFAOYSA-N

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Application

β-Hydroxyisovaleric acid can be used as as a precursor for steroid alcohols.
It is widely used in the synthesis of the anthrax tetrasaccharide and its analogs as anthrax vaccine candidates. β-hydroxyisovaleric acid can also be used in the synthesis of β-lactones by intramolecular dehydration condensation using 2-methyl-6-nitrobenzoic anhydride (MNBA).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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De novo asymmetric synthesis of anthrax tetrasaccharide and related tetrasaccharide.
Guo, Haibing and O?Doherty, George A
The Journal of Organic Chemistry, 73(14), 5211-5220 (2008)
Total synthesis of antigen Bacillus anthracis tetrasaccharide?creation of an anthrax vaccine candidate.
Werz, Daniel B and Seeberger, Peter H
Angewandte Chemie (International Edition in English), 44(39), 6315-6318 (2005)
Mika Hilvo et al.
Cancer research, 76(4), 796-804 (2015-12-20)
Ovarian cancer is a heterogeneous disease of low prevalence, but poor survival. Early diagnosis is critical for survival, but it is often challenging because the symptoms of ovarian cancer are subtle and become apparent only during advanced stages of the
Carlos Hermano da Justa Pinheiro et al.
European journal of applied physiology, 112(7), 2531-2537 (2011-11-15)
Beta-hydroxy-beta-methylbutyrate (HMB) is a metabolite derived from leucine. The anti-catabolic effect of HMB is well documented but its effect upon skeletal muscle strength and fatigue is still uncertain. In the present study, male Wistar rats were supplemented with HMB (320
C Flummer et al.
Journal of animal science, 90 Suppl 4, 372-374 (2013-02-13)
This trial was conducted to investigate whether β-hydroxy β-methyl butyrate (HMB) supplementation during late gestation and throughout lactation would influence colostrum and milk production of sows and neonatal piglet survival (0 to 24 h). Control sows (CON; n = 8)
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