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629-92-5 molecular structure
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nonadecane

ChemBase ID: 110933
Molecular Formular: C19H40
Molecular Mass: 268.5209
Monoisotopic Mass: 268.31300128
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKey:
LQERIDTXQFOHKA-UHFFFAOYSA-N

Cite this record

CBID:110933 http://www.chembase.cn/molecule-110933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonadecane
IUPAC Traditional name
nonadecane
Synonyms
n-Nonadecane
n-NONADECANE
Nonadecane
NSC 77136
n-Nonadecane
Nonadecane
正十九烷
CAS Number
629-92-5
EC Number
211-116-8
MDL Number
MFCD00009012
Beilstein Number
1742892
PubChem SID
162096980
24867963
24886655
24886656
24897604
PubChem CID
12401

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.91053  LogD (pH = 7.4) 8.91053 
Log P 8.91053  Molar Refractivity 89.2212 cm3
Polarizability 35.83962 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
white semisolid expand Show data source
Melting Point
30-34 °C expand Show data source
30-34 °C(lit.) expand Show data source
32-34 °C expand Show data source
32-34°C expand Show data source
Boiling Point
330 °C(lit.) expand Show data source
330-331°C expand Show data source
Flash Point
100 °C expand Show data source
168°C(334°F) expand Show data source
212 °F expand Show data source
Auto Ignition Point
446 °F expand Show data source
Density
0.786 expand Show data source
0.786 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4410 expand Show data source
Vapor Pressure
1 mmHg ( 133.2 °C) expand Show data source
Vapor Density
9.27 (vs air) expand Show data source
RTECS
211-116-8 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
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
~99% expand Show data source
≥99.0% (GC) expand Show data source
≥99.8% (GC) expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)17CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05217070 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - N28906 external link
Packaging
25, 100 g in glass bottle
Toronto Research Chemicals - N648950 external link
Nonadecane is a long chain saturated aliphatic hydrocarbon. Nonadecane is found in tar from coal and other forssil organic matter. Nonadecane is used as a fragrance agent in cosmetics and perfumes.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Youtcheff, J.J. et al.: Org. Geochem., 5, 157 (1983): Etienne, J.J.: Riv. Ital. EPPOS, 15, 418 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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