4-Cyclohexyloxybenzoic acid
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Basic information
- CAS
139-61-7- Standard SMILES
O=C(O)c1ccc(OC2CCCCC2)cc1- InChIKey
OTPHEAKUEAICPM-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 4-Cyclohexyloxybenzoic acid
- IUPAC
- 4-cyclohexyloxybenzoic acid
- English name
- P-CYCLOHEXYLOXYBENZOIC ACID
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
4-(cyclohexyloxy)benzoic acid139-61-74-Cyclohexyloxybenzoic acidEINECS 205-369-3DTXSID60160856NSC 60416RefChem:522339DTXCID4083347205-369-3P-CYCLOHEXYLOXYBENZOIC ACID4-(Cyclohexyloxy)-benzoic acidMFCD00053917
Show more names
AKOS BC-1915PARA-(CYCLOHEXYLOXY)BENZOICACID
p-(Cyclohexyloxy)benzoic acidBenzoic acid, 4-(cyclohexyloxy)-NSC-60416F3145-4952PG2QAX64YC4-(cyclohexoxy)benzoic acid4-cyclohexyloxy benzoic acidSCHEMBL1817555
Database identifiers
- CAS
139-61-7- PubChem CID
- 67317
- DTXSID
DTXSID60160856- UNII
- PG2QAX64YC
- EC Number
- 205-369-3
- Nikkaji
- J184.418K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 186 · 186-188 °C(Press: 1 Torr)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.47 · 4.47±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
1 records
Compound notes
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