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112-92-5 molecular structure
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octadecan-1-ol

ChemBase ID: 102759
Molecular Formular: C18H38O
Molecular Mass: 270.49372
Monoisotopic Mass: 270.29226584
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCO
Canonical 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
InChIKey:
GLDOVTGHNKAZLK-UHFFFAOYSA-N

Cite this record

CBID:102759 http://www.chembase.cn/molecule-102759.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octadecan-1-ol
IUPAC Traditional name
stearyl alcohol
Synonyms
stearyl alcohol
1-Octadecanol
1-Octadecanol
Octadecyl alcohol
STEARYL ALCOHOL
Octadecan-1-ol
n-OCTADECYL ALCOHOL TECHNICAL GRADE
Stearyl Alcohol
n-Octadecyl alcohol
十八烷醇
硬脂醇
1-十八醇
CAS Number
112-92-5
EC Number
204-017-6
MDL Number
MFCD00002823
Beilstein Number
1362907
Merck Index
148805
PubChem SID
162090072
24855658
24886710
24898043
PubChem CID
8221
CHEBI ID
32154
CHEMBL
24640
Chemspider ID
7928
Unique Ingredient Identifier
2KR89I4H1Y
Wikipedia Title
Stearyl_alcohol

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 7.029283 
LogD (pH = 7.4) 7.029283  Log P 7.029283 
Molar Refractivity 86.5489 cm3 Polarizability 34.554615 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1.1 x 10-3 mg/L in water expand Show data source
methanol: soluble10 mg/mL, clear, colorless expand Show data source
Apperance
White solid expand Show data source
Melting Point
56-59 °C expand Show data source
56-59 °C(lit.) expand Show data source
56-60°C expand Show data source
57.4 - 57.7 °C expand Show data source
57.4°C expand Show data source
57-58 °C expand Show data source
58-61 °C expand Show data source
59.4-59.8 °C expand Show data source
Boiling Point
170-171 °C/2 mmHg expand Show data source
210 °C at 15 mmHg (~2.0 kPa) expand Show data source
210 °C/15 mmHg expand Show data source
210°C/15mm expand Show data source
340 - 360 °C at 1013 hPa expand Show data source
340°C expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
174°C(345°F) expand Show data source
185°C (365°F) expand Show data source
195 °C expand Show data source
383 °F expand Show data source
ca. 195 °C (open cup) expand Show data source
Auto Ignition Point
450°C expand Show data source
842 °F expand Show data source
Density
.8124 g/cm3 at 59 °C expand Show data source
0.812 g/cm3 expand Show data source
0.812 g/mL at 25 °C(lit.) expand Show data source
Vapor Pressure
.00015 hPa at 20 °C expand Show data source
<0.01 mmHg ( 38 °C) expand Show data source
Vapor Density
9.3 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
RG2010000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
nwg expand Show data source
TSCA Listed
expand Show data source
Explode Limits
~8 % expand Show data source
GHS Hazard statements
H303 expand Show data source
GHS Precautionary statements
P312 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~99% expand Show data source
≥95.0% (GC) expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% expand Show data source
≥99.5% (GC) expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
certified reference material expand Show data source
puriss. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
Selectophore™ expand Show data source
TECHNICAL expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
pkg of 1 g expand Show data source
Pharmacopeia Traceability
traceable to PhEur S1350000 expand Show data source
traceable to USP 1622000 expand Show data source
Linear Formula
CH3(CH2)17OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 258768 external link
Packaging
100 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - O709 external link
Packaging
1 kg in poly bottle
2 kg in poly drum
Sigma Aldrich - PHR1115 external link
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.
Sigma Aldrich - 74723 external link
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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