1-(4-Methylphenyl)cyclohexanecarboxylic acid
Basic information
- CAS
84682-27-9- Standard SMILES
Cc1ccc(C2(C(=O)O)CCCCC2)cc1- InChIKey
BEVYUARQHKRBMH-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)cyclohexanecarboxylic acid
- IUPAC
- 1-(4-methylphenyl)cyclohexane-1-carboxylic acid
- English name
- 1-(4-Methylphenyl)-1-cyclohexanecarboxylic acid
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29
Names & synonyms
84682-27-91-(4-Methylphenyl)cyclohexanecarboxylic acidEINECS 283-589-9DTXSID40233673NSC 158275RefChem:74529DTXCID70156164283-589-91-(p-Tolyl)cyclohexanecarboxylic acid1-(4-METHYLPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID1-(4-methylphenyl)cyclohexane-1-carboxylic acidMFCD00065264
Show more names
RARECHEM AL BO 1154LABOTEST-BB LT004409021-p-tolylcyclohexanecarboxylic acid1-(p-tolyl)cyclohexane-1-carboxylic acid1-(4-Methylphenyl)-1-cyclohexanecarboxylic acid,97%
1-(P-TOLYL)-1-CYCLOHEXANECARBOXYLIC ACID1-(4-METHYLPHENYL)-1-CYCLOHEXANECARBOXYLICACIDCyclohexanecarboxylic acid, 1-(4-methylphenyl)-SCHEMBL2860893BEVYUARQHKRBMH-UHFFFAOYSA-N1-(p-Tolyl)cyclohexanecarboxylicacid1-p-Tolyl-cyclohexanecarboxylic acidNSC158275
Database identifiers
- CAS
84682-27-9- PubChem CID
- 98664
- DTXSID
DTXSID40233673- EC Number
- 283-589-9
- Nikkaji
- J333.117B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 166 · 166-170 °C
- Boiling point
- 318.98 °C · 318.98°C (rough estimate)
- Density
- 1.0317 · 1.0317 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.53 · 4.53±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- HS Code
- 29163900 · 29163900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29163900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Compound notes
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