heptadecane
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IUPAC name :heptadecane
InChI :InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey :NDJKXXJCMXVBJW-UHFFFAOYAV
SMILES :CCCCCCCCCCCCCCCCC
cas number :629-78-7
(EINECS) number :211-108-4
beilstein number :1738898
fl. number :01.075
molar refractivity :80.80 ± 0.3 cm3
parachor :708.4 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :27.5 ± 3.0 dyne/cm
density :0.777 ± 0.06 g/cm3
polarizability :32.03 ± 0.5 10-24cm3
XlogP : 8.10
molecular weight : 240.4677400 (IUPAC)
formula :C17 H36
BioActivity Analysis :444266
NMR Predictor :Predict
 
 
export tariff code :2901.10.5000
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :Heptadecane
99%
Vigon :Heptadecane
99%

organoleptics :

properties :
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.77700 @ 25.00 °C.
refractive index :1.43600 @ 20.00 °C.
melting point : 20.00 to 22.00 °C. @ 760.00 mm Hg
boiling point : 299.00 to 302.00 °C. @ 760.00 mm Hg
vapor pressure :1.00000 mm/Hg @ 115.00 °C.
vapor density :8.3 ( Air = 1 )
flash point : 300.00  °F.  TCC  ( 148.89 °C. )
logP (o/w) : 8.69

safety :
most important hazard(s) :Xn - Harmful.
  R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
Toxicology Citations :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 heptadecane
(EINECS) number :211-108-4
RTECS :MI3550000 for 629-78-7
chemidplus :000629787
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :629-78-7

references :
 heptadecane
fl. number :01.075
NIST Chemistry WebBook :2783794665
pubchem :155719

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
N-heptadecane

soluble in :
 alcohol
 water, 0.000294 mg/L @ 25C

insoluble in :
 water

natural occurrence in :
data pageboronia absolute @ 0.70%
data pagecarnation absolute @ 0.02%
data pagecarrot leaf oil @ 0.40%
data pagecassie absolute @ 0.51%
data pagedialium guineense wild.fruit oil france @ 7.00%
data pageherniaria incana lam. oil greece @ 0.40%
data pageketaki flower oil india @ 0.30%
data pagemarjoram pot oil turkey @ 0.00-0.18%
data pagenarcissus absolute @ 0.01%
data pagerose oil otto bulgaria @ 0.19%
data pagethyme oil red CO2 extract @ 0.27%
data pagewitch hazel leaf oil @ 0.31%



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