Basic information
- CAS
23985-60-6- Standard SMILES
CCCC(O)(CCC)CC(=O)O- InChIKey
HEOUUPQKAMHMIW-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- 3-Hydroxy-3-propylhexanoic acid
- IUPAC
- 3-hydroxy-3-propylhexanoic acid
- English name
- Hexanoic acid, 3-hydroxy-3-propyl-
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
3-hydroxy-3-propylhexanoic acid23985-60-6Hexanoic acid, 3-hydroxy-3-propyl-SCHEMBL3809733-hydroxy-3-propylhexanoicacidDTXSID10546641YAA98560AKOS011683361EN300-105638G46242Z982131968
Database identifiers
- CAS
23985-60-6- PubChem CID
- 13683028
- DTXSID
DTXSID10546641- EC Number
- 175-582-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海合寰化工科技有限公司18621911604 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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