Isopropyl Myristate
PubChem CID: 8042
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| Compound Synonyms | ISOPROPYL MYRISTATE, 110-27-0, Isopropyl tetradecanoate, Estergel, Tetradecanoic acid, 1-methylethyl ester, Bisomel, Isomyst, Promyr, Deltyl Extra, Kesscomir, Tegester, propan-2-yl tetradecanoate, Sinnoester MIP, Crodamol IPM, Plymoutm IPM, Starfol IPM, Unimate IPM, Kessco IPM, Emcol-IM, Wickenol 101, Stepan D-50, Emerest 2314, 1-Methylethyl tetradecanoate, Deltylextra, Myristic acid isopropyl ester, JA-FA IPM, Crodamol I.P.M., Kessco isopropyl myristate, Tetradecanoic acid, isopropyl, FEMA No. 3556, Myristic acid, isopropyl ester, Tetradecanoic acid, isopropyl ester, Caswell No. 511E, Isopropyl myristate [USAN], 1-Tridecanecarboxylic acid, isopropyl ester, HSDB 626, NSC 406280, UNII-0RE8K4LNJS, 0RE8K4LNJS, EINECS 203-751-4, MFCD00008982, Estergel (TN), EPA Pesticide Chemical Code 000207, NSC-406280, BRN 1781127, methylethyl tetradecanoate, iso-Propyl N-tetradecanoate, DTXSID0026838, CHEBI:90027, EC 203-751-4, Tetradecanoic acid methyethyl ester, 1405-98-7, NCGC00164071-01, WE(2:0(1Me)/14:0), isopropylmyristate, MYRISTIC ACID, ISOPROPYL ALCOHOL ESTER, Isopropyl myristate, 98%, TETRADECONOIC ACID, 1-METHYLETHYL ESTER, DTXCID306838, ISOPROPYL MYRISTATE (II), ISOPROPYL MYRISTATE [II], ISOPROPYL MYRISTATE (MART.), ISOPROPYL MYRISTATE [MART.], ISOPROPYL MYRISTATE (USP-RS), ISOPROPYL MYRISTATE [USP-RS], CAS-110-27-0, ISOPROPYL MYRISTATE (EP MONOGRAPH), ISOPROPYL MYRISTATE [EP MONOGRAPH], IPM-EX, Isopropyl myristate, 1-Methylethyl tetradecanoate, IPM-R, tetradecanoic acid 1-methylethyl ester, Deltyextra, Myristic acid-isopropyl ester, Tegosoft M, Isopropyl myristate [USAN:NF], Liponate IPM, Crodamol 1PM, IPM 100, isopropyl-myristate, Lexol IPM, Isopropyltetradecanoate, Radia 7190, Isopropyl myristate (NF), Isopropyl tetradecanoic acid, SCHEMBL2442, Isopropyl myristate, >=98%, Isopropyl myristate (Standard), CHEMBL207602, ISOPROPYL MYRISTATE [MI], WLN: 13VOY1&1, FEMA 3556, tetradecanoic acid isopropyl ester, ISOPROPYL MYRISTATE [FHFI], ISOPROPYL MYRISTATE [HSDB], ISOPROPYL MYRISTATE [VANDF], Isopropyl myristate, >=90% (GC), Tox21_112080, Tox21_202065, Tox21_303171, ISOPROPYL MYRISTATE [WHO-DD], LMFA07010677, NSC406280, s2428, AKOS015902296, Tox21_112080_1, DB13966, FI32552, HY-124190R, USEPA/OPP Pesticide Code: 000207, NCGC00164071-02, NCGC00164071-03, NCGC00256937-01, NCGC00259614-01, LS-14615, DB-040910, HY-124190, CS-0085813, M0481, NS00006471, Isopropyl Myristate Solution. 500mL, Sterile, D02296, F71211, SBI-0654218.0001, EN300-25299830, Q416222, SR-01000944751, Isopropyl myristate, Vetec(TM) reagent grade, 98%, SR-01000944751-1, BRD-K13409143-001-01-9, Isopropyl myristate, United States Pharmacopeia (USP) Reference Standard, TETRADECANOIC ACID,ISOPROPYL ESTER (MYRISTATE,ISOPROPYL ESTER), Isopropyl myristate, Pharmaceutical Secondary Standard, Certified Reference Material, 203-751-4, InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H |
|---|---|
| Ghose Rule | False |
| 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 | CCCCCCCCCCCCCC=O)OCC)C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavour ingredient |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, Q92830, P10275, P10828, n.a., P0DTD1 |
| Iupac Name | propan-2-yl tetradecanoate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT483 |
| Xlogp | 7.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.9411764705882352 |
| Logs | -6.508 |
| Rotatable Bond Count | 14.0 |
| State | Liquid |
| Logd | 4.637 |
| Synonyms | 1-Methylethyl tetradecanoate, Bisomel, Crodamol 1PM, Deltyl extra, Estergel, Estergel (TN), FEMA 3556, Iso-propyl n-tetradecanoate, Isomyst, Isopropyl myristate, Isopropyl myristate [usan], Isopropyl tetradecanoate, Methylethyl tetradecanoate, Myristic acid isopropyl ester, Tetradecanoic acid methyethyl ester, Isopropyl tetradecanoic acid, iso-Propyl N-tetradecanoate, Isopropylmyristate, bisomel, iso -propyl myristate, isopropyl myristate, isopropyl tetradecanoate |
| Substituent Name | Fatty acid ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Isopropyl Myristate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.5 |
| 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 | -5.135133399999999 |
| Inchi | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCC(=O)OC(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty acid esters |
| Np Classifier Superclass | Fatty esters |
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