This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Methyl Laurate

PubChem CID: 8139

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Methyl laurate, METHYL DODECANOATE, 111-82-0, Dodecanoic acid, methyl ester, Lauric acid methyl ester, Methyl laurinate, Methyl dodecylate, Lauric acid, methyl ester, Methyl n-dodecanoate, Uniphat A40, Metholene 2296, Stepan C40, FEMA number 2715, FEMA No. 2715, HSDB 5550, UNII-8IPS6BI6KW, formyl dodecanoate, NSC 5027, EINECS 203-911-3, MFCD00008966, BRN 1767780, DTXSID5026889, CHEBI:87494, AI3-00669, NSC-5027, 8IPS6BI6KW, C12 FAME, dodecanoic acid-methyl ester, METHYL LAURATE [II], METHYL LAURATE [FHFI], DTXCID206889, METHYL LAURATE [USP-RS], METHYL DODECANOATE [HSDB], EC 203-911-3, WE(1:0/12:0), 4-02-00-01090 (Beilstein Handbook Reference), METHYL LAURATE (II), METHYL LAURATE (USP-RS), CAS-111-82-0, dodecanoic acid methyl ester, Methyl-Laurate, Laate methyl ester, Methyl ndodecanoate, METHYL DODECANOATE, 99.8%, Methyl laurinic acid, METHYLLAURATE, Methyl dodecylic acid, Laic acid methyl ester, Methyl N-dodecanoic acid, Methyl laurate (Standard), Methyl laurate, 99.5%, Uniphat A40 IN 511, SCHEMBL38030, METHYL LAURATE [INCI], Methyl laurate, >=98%, FG, CHEMBL1894365, FEMA 2715, MSK1810, NSC5027, HY-W004286R, STR07936, Methyl laurate, natural, 98%, FG, Tox21_201488, Tox21_300555, LMFA07010463, STL477114, AKOS004910323, 1ST1810, CS-W004286, FM70639, HY-W004286, Methyl dodecanoate, analytical standard, NCGC00164095-01, NCGC00164095-02, NCGC00164095-03, NCGC00254464-01, NCGC00259039-01, Dodecanoic acid methyl ester (FAME MIX), DB-003723, L0015, NS00005708, S0309, D77652, Q27159671, Methyl laurate, certified reference material, TraceCERT(R), 77730007-072E-4C8A-8B4B-886E9C44946C, Methyl laurate, United States Pharmacopeia (USP) Reference Standard, 203-911-3
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Wax monoesters
Deep Smiles CCCCCCCCCCCC=O)OC
Heavy Atom Count 15.0
Classyfire Class Fatty acyls
Description Found in concord grape (Vitis labrusca), melon, pineapple, heated blackberry, red chilli (Capsicum frutescens) and other fruitsand is also present in cheeses, hop oil, white wine, spirits and other foodstuffs. Flavouring agent.
Classyfire Subclass Fatty acid esters
Isotope Atom Count 0.0
Molecular Complexity 143.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P19793, P03372, P10275, P10828, Q96RI1, Q03181, P37231, P11473, P04150, P19838, P04637, Q16236, Q9R1A7
Iupac Name methyl dodecanoate
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 5.8
Superclass Lipids and lipid-like molecules
Subclass Fatty acid esters
Gsk 4 400 Rule False
Molecular Formula C13H26O2
Prediction Swissadme 0.0
Inchi Key UQDUPQYQJKYHQI-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9230769230769232
Logs -5.22
Rotatable Bond Count 11.0
State Liquid
Logd 3.975
Synonyms Dodecanoic acid, methyl ester, FEMA 2715, Lauric acid methyl ester, Lauric acid, methyl ester, Metholene 2296, Methyl dodecanoate, METHYL DODECANOATE, 99.8%, Methyl dodecylate, Methyl laurate, Methyl laurinate, Methyl n-dodecanoate, Stepan C40, Uniphat A40, Uniphat A40 IN 511, Methyl N-dodecanoate, Laate methyl ester, Laic acid methyl ester, Methyl dodecylic acid, Methyl laurinic acid, Methyl N-dodecanoic acid, Methyl dodecanoic acid, METHYL dodecanoATE, 99.8%, Uniphat a40, Uniphat a40 in 511, Lauric acid methyl ester, C14-labeled, methyl dodecanoate, methyl dodecanoate + unknown, methyl laurate
Substituent Name Fatty acid methyl ester, Methyl ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound
Esol Class Soluble
Functional Groups COC(C)=O
Compound Name Methyl Laurate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 214.193
Formal Charge 0.0
Monoisotopic Mass 214.193
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 214.34
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -3.8512638
Inchi InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
Smiles CCCCCCCCCCCC(=O)OC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Fatty acid methyl esters
Np Classifier Superclass Fatty esters