Cas no 129177-01-1 (12-Octadecenoic acid,11-methyl-)
129177-01-1 structure
Product Name:12-Octadecenoic acid,11-methyl-
CAS No:129177-01-1
MF:C19H36O2
MW:296.487946510315
CID:212736
PubChem ID:6443996
Update Time:2025-04-19
12-Octadecenoic acid,11-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 12-Octadecenoic acid,11-methyl-
- 11-methyloctadec-12-enoic acid
- 11-methyloctadeca-12-enoic acid
- (12E)-11-methyloctadec-12-enoic acid
- 11-Modca
- 11-methyl-12E-octadecenoic acid
- LMFA01020386
- (E)-11-methyloctadec-12-enoic acid
- 129177-01-1
- (E)-11-Methyl-12-octadecenoic acid
- 18:1(12E)(11Me)
- CHEBI:196583
- SCHEMBL15327000
-
- Inchi： 1S/C19H36O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h12,15,18H,3-11,13-14,16-17H2,1-2H3,(H,20,21)/b15-12+
- InChI Key： ATAFFFIQYLMZPZ-NTCAYCPXSA-N
- SMILES： OC(CCCCCCCCCC(C)/C=C/CCCCC)=O
Computed Properties
- Exact Mass: 296.27168
- Monoisotopic Mass: 296.272
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 7.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.896
- Boiling Point: 408.1°Cat760mmHg
- Flash Point: 304.9°C
- Refractive Index: 1.466
- PSA: 37.3
12-Octadecenoic acid,11-methyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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