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Methyl O-Acetylricinoleate - >80.0%(GC), high purity , CAS No.140-03-4
Basic Description
Synonyms
9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, (R-(Z))- | RICSIZER C 101 | SCHEMBL449967 | 5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine | EINECS 205-392-9 | TIARAMIDE [WHO-DD] | 1GNA03S90I | CMOYPQWMTBSLJK-ACQXMXPUSA-N | 9-Octadecenoi
Specifications & Purity
≥80%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty alcohol esters
Intermediate Tree Nodes
Not available
Direct Parent
Fatty alcohol esters
Alternative Parents
Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty alcohol ester - Fatty acid methyl ester - Fatty acid ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
methyl (Z,12R)-12-acetyloxyoctadec-9-enoate
INCHI
InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1
InChIKey
CMOYPQWMTBSLJK-ACQXMXPUSA-N
Smiles
CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C
Isomeric SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)OC(=O)C
RTECS
VJ3410000
Molecular Weight
354.53
Reaxy-Rn
1729462
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1729462&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.46
Flash Point(°F)
198°C(lit.)
Flash Point(°C)
198°C(lit.)
Boil Point(°C)
260°C/13mmHg(lit.)
Molecular Weight
354.500 g/mol
XLogP3
6.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
18
Exact Mass
354.277 Da
Monoisotopic Mass
354.277 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
363.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
A2405167