β-Hydroxyisovaleric acid

ALDRICH/55453 - ≥95.0% (T)

Synonym: 3-Hydroxy-3-methylbutyric acid

CAS Number: 625-08-1
Empirical Formula (Hill Notation): C₅H₁₀O₃
Molecular Weight: 118.13
MDL Number: MFCD00059081
Linear Formula: C₅H₁₀O₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-55453-1G	1 g	$631.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥95.0% (T)
bp	88 °C/1 mmHg (lit.)
density	0.938 g/mL at 25 °C (lit.)
functional group	carboxylic acid
	hydroxyl
InChI	1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChI key	AXFYFNCPONWUHW-UHFFFAOYSA-N
mp	−80 °C (lit.)
Quality Level	100
refractive index	n20/D 1.4415 (lit.)
SMILES string	CC(C)(O)CC(O)=O

Application:	β-Hydroxyisovaleric acid can be used as as a precursor for steroid alcohols.
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).
Packaging:	1 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	UN 3334
WGK Germany	WGK 3
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup

Purity	≥95.0% (T)
bp	88 °C/1 mmHg (lit.)
mp	−80 °C (lit.)
Density	0.938 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.4415 (lit.)
UNSPSC	12352100

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