Cas no 31478-84-9 (Heptadecanoic acid,16-methyl-, 1-methylethyl ester)
31478-84-9 structure
Product Name:Heptadecanoic acid,16-methyl-, 1-methylethyl ester
CAS No:31478-84-9
MF:C21H42O2
MW:326.556987285614
CID:318916
Update Time:2026-05-14
Heptadecanoic acid,16-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- propan-2-yl 16-methylheptadecanoate
- 1-Methylethyl isooctadecanoate
- 2-Propyl isooctadecanoate
- EINECS 250-651-1
- Isooctadecanoic acid, 1-methylethyl ester
- Isopropyl 16-methylheptadecanoate
- Isostearic acid, isopropyl ester
- Nikkol IPIS
- Wickenol 131
- Heptadecanoic acid, 16-methyl-, 1-methylethyl ester
- Heptadecanoic acid, 16-methyl-1,1-dimethylethyl ester
- Heptadecanoic acid,16-methyl-, 1-methylethyl ester
-
- Inchi： 1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3
- InChI Key： NEOZOXKVMDBOSG-UHFFFAOYSA-N
- SMILES： CC(CCCCCCCCCCCCCCC(OC(C)C)=O)C
Computed Properties
- Exact Mass: 326.31866
- Monoisotopic Mass: 326.318
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 17
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 0.86g/cm3
- Boiling Point: 360.7oC at 760mmHg
- Flash Point: 183.6oC
- Refractive Index: 1.445
- PSA: 26.3
- LogP: 7.05540
Heptadecanoic acid,16-methyl-, 1-methylethyl ester Related Literature
-
Zhixiong Zhong,Gongke Li,Jianbo Luo,Wensheng Chen,Liping Liu,Ping He,Zhibin Luo Anal. Methods 2015 7 3169
31478-84-9 (Heptadecanoic acid,16-methyl-, 1-methylethyl ester) Related Products
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