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112-72-1 molecular structure
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tetradecan-1-ol

ChemBase ID: 105960
Molecular Formular: C14H30O
Molecular Mass: 214.3874
Monoisotopic Mass: 214.22966558
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCO
Canonical SMILES:
CCCCCCCCCCCCCCO
InChI:
InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
InChIKey:
HLZKNKRTKFSKGZ-UHFFFAOYSA-N

Cite this record

CBID:105960 http://www.chembase.cn/molecule-105960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetradecan-1-ol
IUPAC Traditional name
myristyl alcohol
Synonyms
Myristyl alcohol
Tetradecyl alcohol
1-Tetradecanol
Tetradecan-1-ol
n-Tetradecyl alcohol
1-Tetradecanol
MYRISTYL ALCOHOL
1-Tetradecanol
肉豆蔻醇
1-十四醇
CAS Number
112-72-1
EC Number
204-000-3
MDL Number
MFCD00004757
Beilstein Number
1742652
Merck Index
146334
PubChem SID
162088994
24850687
24888721
PubChem CID
8209
CHEMBL
24022
Chemspider ID
7917
KEGG ID
D05097
Unique Ingredient Identifier
V42034O9PU
Wikipedia Title
1-Tetradecanol

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 5.2510085 
LogD (pH = 7.4) 5.2510085  Log P 5.2510085 
Molar Refractivity 68.1449 cm3 Polarizability 27.168322 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystalline expand Show data source
Melting Point
35-39 °C expand Show data source
35-39 °C(lit.) expand Show data source
37-40°C expand Show data source
38°C expand Show data source
38-39 °C expand Show data source
39 - 40 °C expand Show data source
39°C expand Show data source
Boiling Point
>260 °C expand Show data source
263.2 °C at 1013 hPa expand Show data source
263.2°C expand Show data source
289 °C(lit.) expand Show data source
289°C expand Show data source
Flash Point
141°C(285°F) expand Show data source
148 °C expand Show data source
298 °F expand Show data source
298.4 °F expand Show data source
ca. 155 °C (open cup) expand Show data source
Auto Ignition Point
489 °F expand Show data source
Density
.8355 g/cm3 at 20 °C expand Show data source
0.823 expand Show data source
0.823 g/mL at 25 °C(lit.) expand Show data source
0.824 g/cm3 expand Show data source
0.8355 g/ml expand Show data source
Vapor Pressure
.0133 hPa at 20 °C expand Show data source
Vapor Density
7.4 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
XB8655000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
German water hazard class
- expand Show data source
3 expand Show data source
Risk Statements
36 expand Show data source
38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
room temp expand Show data source
Purity
~96% (capillary GC) expand Show data source
~99% expand Show data source
≥95.0% (GC) expand Show data source
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
97+% expand Show data source
Grade
certified reference material expand Show data source
purum expand Show data source
Selectophore™ 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 USP 1449008 expand Show data source
Linear Formula
CH3(CH2)13OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206463 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02195337 external link
Crystalline
Purity: ~99%
Sigma Aldrich - 185388 external link
Packaging
100 g in glass bottle
Sigma Aldrich - PHR1135 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 - 87158 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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