Cas no 14481-55-1 (Pentanoic acid,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester)
14481-55-1 structure
Product Name:Pentanoic acid,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
CAS No:14481-55-1
MF:C15H26O2
MW:238.365745067596
CID:166510
PubChem ID:85741
Update Time:2025-04-19
Pentanoic acid,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
- 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoate
- Valeric acid, p-menth-1-en-8-yl ester
- Einecs 238-477-4
- Pentanoic acid 1-methyl-1-(4-methyl-3-cyclohexenyl)ethyl ester
- SCHEMBL3504963
- NS00054160
- Terpinyl valerate
- Terpenyl pentanoate
- p-menth-1-en-8-yl n-pentanoate
- DTXSID00932418
- GIHNOWFSKYCHNL-UHFFFAOYSA-N
- alpha-Terpinyl pentanoate
- 14481-55-1
-
- Inchi： 1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3
- InChI Key： GIHNOWFSKYCHNL-UHFFFAOYSA-N
- SMILES： O(C(CCCC)=O)C(C)(C)C1CC=C(C)CC1
Computed Properties
- Exact Mass: 238.19338
- Monoisotopic Mass: 238.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Pentanoic acid,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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