Skip to Content
Merck
All Photos(1)

Key Documents

More Documents

55453

Sigma-Aldrich

β-Hydroxyisovaleric acid

≥95.0% (T)

Synonym(s):

3-Hydroxy-3-methylbutyric acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

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

Quality Level

100

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

MNBA-Mediated β-Lactone Formation: Mechanistic Studies and Application for the Asymmetric Total Synthesis of Tetrahydrolipstatin.
Shiina, Isamu et al.
The Journal of Organic Chemistry, 77(11), 4885-4901 (2012)
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
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)
R Santer et al.
Molecular genetics and metabolism, 79(3), 160-166 (2003-07-12)
We report the clinical course and biochemical findings of a 10-year-old, mentally retarded girl with late-onset holocarboxylase synthetase (HCS, gene symbol HLCS) deficiency and only partial response to biotin. On treatment, even with an unusually high dose of 200mg/day, activities
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service