2-(Hydroxymethyl)-3-methylbutanoic acid
Basic information
- CAS
116049-20-8- Standard SMILES
CC(C)C(CO)C(=O)O- InChIKey
ZNUOZUQIVRRPAD-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-3-methylbutanoic acid
- IUPAC
- 2-(hydroxymethyl)-3-methylbutanoic acid
Names & synonyms
2-(hydroxymethyl)-3-methylbutanoic acid116049-20-8RefChem:461059888-143-2SCHEMBL407037SCHEMBL104063752-hydroxymethyl-3-methylbutanoic acidAKOS0063790182-(hydroxymethyl)-3-methylbutanoicacid2-(hydroxymethyl)-3-methyl-butanoic acidCS-0235141EN300-153257
Show more names
Z1205494781
Database identifiers
- CAS
116049-20-8- PubChem CID
- 20146211
- EC Number
- 888-143-2
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.5
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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