4-(Cyclopentyloxy)benzoic acid
Basic information
- CAS
30762-02-8- Standard SMILES
O=C(O)c1ccc(OC2CCCC2)cc1- InChIKey
NSTJDFGPPOXIAT-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 4-(Cyclopentyloxy)benzoic acid
- IUPAC
- 4-cyclopentyloxybenzoic acid
- English name
- 4-(Cyclopentyloxy)-benzoic acid
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
4-(cyclopentyloxy)benzoic acid30762-02-8DTXSID20352755RefChem:288770DTXCID40303820818-940-24-cyclopentyloxybenzoic AcidBenzoic acid, 4-(cyclopentyloxy)-4-(Cyclopentyloxy)-benzoic acid4-(Cyclopentoxy)benzoic acidMFCD03233617p-cyclopentyloxybenzoic acid
Show more names
Oprea1_7901114-(cyclopentyloxy)benzoicacidSCHEMBL1028676NSTJDFGPPOXIAT-UHFFFAOYSA-NFBA76202BBL029924SBB021714STK349486
Database identifiers
- CAS
30762-02-8- PubChem CID
- 735307
- DTXSID
DTXSID20352755- EC Number
- 818-940-2
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2916399090 · 2916399090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
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