Cyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans-
Basic information
- CAS
67589-54-2- Standard SMILES
CCCCCC1CCC(C(=O)Oc2ccc(OCCC)cc2)CC1- InChIKey
ZAUPPIHFDVKVJM-UHFFFAOYSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans-
- IUPAC
- (4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate
- English name
- p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate
- Molecular formula
- C21H32O3
- Molecular weight
- 332.48
Names & synonyms
67589-54-2Cyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans-(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate4-n-Propoxyphenyl trans-4-n-pentylcyclohexanecarboxylate4-propoxyphenyl 4-pentylcyclohexanecarboxylateEINECS 266-747-1p-Propoxyphenyl trans-4-pentylcyclohexanecarboxylatetrans-4-Pentylcyclohexanecarboxylic acid, 4-propoxyphenyl esterSCHEMBL7511981SCHEMBL8449202DTXSID70886838ZAUPPIHFDVKVJM-IYARVYRRSA-N
Show more names
4-PROPYLOXYPHENYL 4-PENTYLCYCLOHEXANECARBOXYLATE4-PROPOXYPHENYL-4''-TRANS-PENTYLCYCLOHEXYLCARBOXYLATE4-Propoxyphenyl-4'-trans-n-pentylcyclohexylcarboxylate4-pentyl-1-cyclohexanecarboxylic acid (4-propoxyphenyl) ester4-n-Propoxyphenyl trans-4-n-pentylcyclohexanecarboxylate, 98%4α-Pentyl-1β-cyclohexanecarboxylic acid 4-(propyloxy)phenyl ester
ZAUPPIHFDVKVJM-UHFFFAOYSA-NDTXSID4012467164-PROPOXYPHENYL (1S,4R)-4-PENTYLCYCLOHEXANE-1-CARBOXYLATEAKOS01595108267679-64-5NS000558474-PROPOXYPHENYL 4-PENTYLCYCLOHEXANE-1-CARBOXYLATE
Database identifiers
- CAS
67589-54-2、67679-64-5- PubChem CID
- 105461
- DTXSID
DTXSID401246716- EC Number
- 266-747-1
- Nikkaji
- J333.207A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 436.826 · 436.826±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.996 · 0.996
- EPA Substance Registry System
- 4 · Cyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans- (67589-54-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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