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Estol 1514

CAS: 110-27-0 | C17H34O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 110-27-0
Molecular Formula: C17H34O2
Molecular Weight: 270.45699999999994 g/mol

Names and Synonyms:

Estol 1514
NSC 406280
IPM-EX
Lexol IPM
Crodacol IPM
Isopropyl Myristate
Tetradecanoic acid, 1-methylethyl ester
Myristic acid, isopropyl ester
Bisomel
Emcol IM
Isopropyl myristate
Kesscomir
Promyr
Deltyl Extra
Isopropyl tetradecanoate
Sinnoester MIP
Kessco IPM
Wickenol 101
Crodamol IPM
Isomyst
Stepan D 50
Emerest 2314
D 50
D 50 (emollient)
IPM
1-Methylethyl tetradecanoate
Rilanit IPM
IPM-R
Estol IPM 1512
IPM 100
Estol 1512
Tegosoft M
Radia 7190
Pelemol IPM
Nikkol IPM
Stepan IPM
Nikkol IPM 100
Nikkol IPM-EX
Exceparl IPM
Isopropyl myristate-PM
Kollicream IPM
Pastell IP 14
Liponate IPM
Matlube IPM-S
SR Crodamol IPM-LQ
Propan-2-yl tetradecanoate
SR Crodamol IPM-LQ(JP)
Exceparl IPML
Radia 7730

Identifiers:

SMILES:
CCCCCCCCCCCCCC(=O)OC(C)C
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 270.45699999999994 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 270.255880328 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 19 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 13 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 26.3 Ų RDKit

Physical Properties

Property Value Source
LogP 5.639100000000005 RDKit
molecular_mass 270.46 g/mol Legacy Database
density 0.85 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Isopropyl_myristate None Legacy Database
cas-boiling-point 192.6 °C @ Press: 20 Torr None Legacy Database
cas-canonical-smile O=C(OC(C)C)CCCCCCCCCCCCC None Legacy Database
cas-density 0.8532 g/cm3 @ Temp: 20 °C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=AXISYYRBXTVTFY-UHFFFAOYSA-N None Legacy Database
cas-melting-point 3 °C (approx) None Legacy Database
cas-name Isopropyl myristate None Legacy Database
wikipedia-name Isopropyl myristate None Legacy Database

Molar

Property Value Source
Molar Refractivity 82.30600000000007 RDKit

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