2-Hydroxy-2-methylhexanoic acid
Basic information
- CAS
70908-63-3- Standard SMILES
CCCCC(C)(O)C(=O)O- InChIKey
HNQAXDPWMQIKEE-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 2-Hydroxy-2-methylhexanoic acid
- IUPAC
- 2-hydroxy-2-methylhexanoic acid
Names & synonyms
2-hydroxy-2-methylhexanoic acid70908-63-32-dydroxy-2-methylhexanoic acidSCHEMBL381209AKOS006377050WS-00277D86692EN300-1835758
Database identifiers
- CAS
70908-63-3- PubChem CID
- 10486992
- EC Number
- 169-797-1
- Nikkaji
- J1.089.117E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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