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Stearyl Alcohol

CAS: 112-92-5 | C18H38O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 112-92-5
Molecular Formula: C18H38O
Molecular Weight: 270.50099999999986 g/mol

Names and Synonyms:

Stearyl Alcohol
1-Octadecanol
Atalco S
Crodacol S
Lorol 28
n-Octadecanol
Octadecyl alcohol
n-Octadecyl alcohol
Sipol S
Siponol S
Stearol
Stearyl alcohol
Steraffine
Adol 62
Siponol SC
Lanol S
Alfol 18
Cachalot S 43
Kalcohl 80
Conol 1675
Octadecanol
1-Hydroxyoctadecane
CO 1895F
Stearic alcohol
Rofamol
1-Stearyl alcohol
Lorol C 18
Adol 64
Adol 68
Alfol 18NF
Lanette 18DEO
Lanette 18
Kalcohl 8098
Laurex 18
CO 1895
Conol 30S
VLTN 6
Hyfatol 18-98
Hyfatol 18-95
CO 1897
NSC 5379
Conol 30SS
Crodacol S 95
Crodacol S 70
Crodacol S 95 NF
Kalchol 8098
Kalcohl 8099
Kalcol 8098
Conol 30F
Hainol 18SS
CO 1898
Nacol 18-98
Speziol C 18 Pharma
Kolliwax SA
Lanette-S 3
Tego Alkanol 18
Elocol C 1899
Nacol C 18
Crodacol S 95EP
Stearafine Pure
Stearyl alcohol NX
Ginol 18
Nacol 1898

Identifiers:

SMILES:
CCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

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

Physical Properties

Property Value Source
molecular_mass 270.50 g/mol Legacy Database
density 0.81 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Stearyl_alcohol None Legacy Database
cas-boiling-point 210.5 °C @ Press: 15 Torr None Legacy Database
cas-canonical-smile OCCCCCCCCCCCCCCCCCC None Legacy Database
cas-density 0.8124 g/cm3 @ Temp: 59 °C None Legacy Database
cas-inchi InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 None Legacy Database
cas-inchi-key InChIKey=GLDOVTGHNKAZLK-UHFFFAOYSA-N None Legacy Database
cas-melting-point 59.5 °C None Legacy Database
cas-name Stearyl alcohol None Legacy Database
wikipedia-name Stearyl alcohol None Legacy Database
LogP 6.240200000000008 RDKit

Molecular

Property Value Source
Molecular Weight 270.50099999999986 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 270.292265836 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 19 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 16 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 20.23 Ų RDKit

Molar

Property Value Source
Molar Refractivity 86.63180000000007 RDKit

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