Basic information
- CAS
74603-16-0- Standard SMILES
CCCCCC1CCC(CC(=O)O)CC1- InChIKey
KVBNAJRQLNFGGK-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
Names & identifiers
- Preferred name
- 2-(4-pentylcyclohexyl)acetic Acid
- IUPAC
- 2-(4-pentylcyclohexyl)acetic acid
- English name
- 2-(4-Pentylcyclohexyl)acetic acid
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
2-(4-pentylcyclohexyl)acetic Acid74603-16-084219-03-4Trans-4-pentylcyclohexylacetic acidMFCD00995144SCHEMBL9899525SCHEMBL10726112SCHEMBL175920802-(4-pentylcyclohexyl)aceticAcidDTXSID70395738KVBNAJRQLNFGGK-HAQNSBGRSA-NKVBNAJRQLNFGGK-UHFFFAOYSA-N
Show more names
Cyclohexaneacetic acid, 4-pentyl-
AKOS005080859(4-PENTYLCYCLOHEXYL)ACETIC ACIDDB-076011CS-032647612N-237F726143A1-26100
Database identifiers
- CAS
74603-16-0- Nikkaji
- J743.957A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 321.1 · 321.1±10.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2916200090 · 2916200090
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
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
CHEMSWORTH[email protected]
SYNQUEST[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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