55453
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:
Molecular Weight:
118.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1743952
Assay:
≥95.0% (T)
Quality Segment
assay
≥95.0% (T)
refractive index
n
bp
88 °C/1 mmHg (lit.)
mp
−80 °C (lit.)
density
0.938 g/mL at 25 °C (lit.)
functional group
carboxylic acid, hydroxyl
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
Application
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).
β-Hydroxyisovaleric acid can be used as as a precursor for steroid alcohols.
Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class
10 - Combustible liquids
Flash Point (°F)
235.4 °F - closed cup
Flash Point (°C)
113 °C - closed cup
PPE (personal protective equipment)
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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