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629-59-4 molecular structure
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tetradecane

ChemBase ID: 3228
Molecular Formular: C14H30
Molecular Mass: 198.388
Monoisotopic Mass: 198.23475096
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCC
InChI:
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey:
BGHCVCJVXZWKCC-UHFFFAOYSA-N

Cite this record

CBID:3228 http://www.chembase.cn/molecule-3228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetradecane
IUPAC Traditional name
tetradecane
Synonyms
Tetradecane
n-TETRADECANE
n-Tetradecane
Tetradecane
正十四烷
十四烷
CAS Number
629-59-4
EC Number
211-096-0
MDL Number
MFCD00008986
Beilstein Number
1733859
PubChem SID
24867973
160966671
24850401
46507858
24888862
24888861
PubChem CID
12389

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
LogD (pH = 7.4) 6.6876874  Log P 6.6876874 
Molar Refractivity 66.2162 cm3 Polarizability 26.604607 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 6.6876874 
Log P 7.7  LOG S -6.55 
Solubility (Water) 5.53e-05 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
4°C expand Show data source
5.5 °C(lit.) expand Show data source
6°C expand Show data source
Boiling Point
252-254 °C(lit.) expand Show data source
252-254°C expand Show data source
253.7°C expand Show data source
Flash Point
100 °C expand Show data source
212 °F expand Show data source
99°C(211°F) expand Show data source
Auto Ignition Point
455 °F expand Show data source
Density
0.762 g/mL at 20 °C(lit.) expand Show data source
0.763 expand Show data source
Refractive Index
1.4290 expand Show data source
n20/D 1.429 expand Show data source
n20/D 1.429(lit.) expand Show data source
Vapor Pressure
1 mmHg ( 76.4 °C) expand Show data source
Vapor Density
6.83 (vs air) expand Show data source
RTECS
XB8000000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) 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
German water hazard class
3 expand Show data source
Risk Statements
65-67 expand Show data source
R:18-36/37/38 expand Show data source
Safety Statements
23-24-62 expand Show data source
36-60 expand Show data source
S:25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H304-H336 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P331 expand Show data source
P261-P301+P310-P304+P340-P312-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
Purity
≥99% expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
95+% expand Show data source
99% expand Show data source
99+% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Description
olefine free expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)12CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05219175 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB03563 external link
Drug information: experimental
Sigma Aldrich - 87140 external link
Packaging
50, 250 mL in glass bottle
Sigma Aldrich - 172456 external link
Packaging
2, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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