5-Cyclohexylsalicylic acid
Basic information
- CAS
1855-23-8- Standard SMILES
O=C(O)c1cc(C2CCCCC2)ccc1O- InChIKey
GZEPXNUXMPYSOQ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 5-Cyclohexylsalicylic acid
- IUPAC
- 5-cyclohexyl-2-hydroxybenzoic acid
- English name
- 5-cyclohexylsalicylic acid
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26434
Names & synonyms
5-cyclohexyl-2-hydroxybenzoic acid5-Cyclohexylsalicylic acid1855-23-8EINECS 217-453-7DTXSID20171786RefChem:535124DTXCID6094277217-453-7CHEMBL32445785-cyclohexyl-2-hydroxy-benzoic acidKWB5-cyclohexyl salicylic acid
Show more names
7Z8TKP67ZSSalicylic acid, 5-cyclohexyl-SCHEMBL2533359BAA855235-cyclohexyl-2-hydroxy benzoic acidBBL034805BDBM50565958MFCD01104674
Database identifiers
- CAS
1855-23-8- PubChem CID
- 74618
- DTXSID
DTXSID20171786- ChEMBL
CHEMBL3244578- UNII
- 7Z8TKP67ZS
- EC Number
- 217-453-7
- Nikkaji
- J111.185J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 7 Z8TKP67ZS · 7Z8TKP67ZS
- 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 39 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…