Basic information
- CAS
123876-12-0- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1cccc(C(=O)O)c1- InChIKey
WFSOZFSPIBLCOV-UHFFFAOYSA-N- Molecular formula
- C25H42O3
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.3133952
Names & identifiers
- Preferred name
- 3-(Octadecyloxy)benzoic acid
- IUPAC
- 3-octadecoxybenzoic acid
- English name
- 3-(octadecyloxy)benzoic acid
- Molecular formula
- C25H42O3
- Molecular weight
- 390.59918
Names & synonyms
3-(Octadecyloxy)benzoic acidRefChem:495706123876-12-0653-284-9SCHEMBL7822821AKOS024430406
Database identifiers
- CAS
123876-12-0- PubChem CID
- 4459072
- EC Number
- 653-284-9
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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