Cas no 1142-85-4 (Butanoic acid,3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester)
1142-85-4 structure
Product Name:Butanoic acid,3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
CAS No:1142-85-4
MF:C15H26O2
MW:238.365745067596
CID:151826
Update Time:2025-04-19
Butanoic acid,3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate
- TERPINYL ISOVALERATE
- Terpinyl isopentanoate
- Terpinyl iso-valerate
- Terpinyl isovalerianate
-
- Inchi： 1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3
- InChI Key： XRADSECIALQFFY-UHFFFAOYSA-N
- SMILES： CC(CC(OC(C1CC=C(C)CC1)(C)C)=O)C
Computed Properties
- Exact Mass: 256.20400
- Monoisotopic Mass: 238.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 300
- 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
- Topological Polar Surface Area: 26.3
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.7
Experimental Properties
- Color/Form: Not determined
- Density: 0.938
- Boiling Point: 290.4°C at 760 mmHg
- Flash Point: 87.7°C
- Refractive Index: 1.466
- PSA: 46.53000
- LogP: 3.29550
- Solubility: Not determined
- FEMA: 3054 | TERPINYL ISOVALERATE
Butanoic acid,3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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