undecane
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IUPAC name :undecane
InChI :InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
InChIKey :RSJKGSCJYJTIGS-UHFFFAOYAC
SMILES :CCCCCCCCCCC
cas number :1120-21-4
(EINECS) number :214-300-6
beilstein number :1697099
molar refractivity :53.01 ± 0.3 cm3
parachor :469.7 ± 4.0 cm3
index of refraction :1.418 ± 0.02
surface tension :24.9 ± 3.0 dyne/cm
density :0.743 ± 0.06 g/cm3
polarizability :21.01 ± 0.5 10-24cm3
XlogP : 5.30
molecular weight : 156.3082600
formula :C11 H24
BioActivity Analysis :48414881
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-SAFC :Undecane
≥99%

organoleptics :

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.74000 @ 25.00 °C.
refractive index :1.41700 @ 20.00 °C.
melting point : -26.00 °C. @ 760.00 mm Hg
boiling point : 195.00 to 198.00 °C. @ 760.00 mm Hg
vapor pressure :0.41200 mm/Hg @ 25.00 °C.
vapor density :5.4 ( Air = 1 )
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 6.50

safety :
most important hazard(s) :Xn - Harmful.
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  intravenous-Mouse    517.00  mg/kg
Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Inhalation-Rat  >442.00  ppm/8H
  Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

 

safety in use :
 

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2330
 
WGK Germany :3
 
 
 
 undecane
(EINECS) number :214-300-6
RTECS :YQ1525000 for 1120-21-4
chemidplus :001120214
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :1120-21-4
dtp/nci :66159

references :
 undecane
NIST Chemistry WebBook :3188137211
pubchem :157541

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 hendecane
N-hendecane
N-undecane

soluble in :
 alcohol
 water, 0.004 mg/L @ 25C

insoluble in :
 water

natural occurrence in :
data pagecarrot leaf oil @ 0.22%
data pagecoriander leaf oil @ 0.04-0.06%
data pagecostmary oil @ 0.12%
data pagedialium guineense wild.fruit oil france @ 3.90%
data pagedill weed oil reunion @ trace%
data pagelime oil distilled peru @ 0.02%
data pagemikan peel oil @ trace%
data pageosmanthus absolute @ 0.008%
data pagepittosporum spp. fruit oil malaysia @ 0.40%
data pageulva rigida oil greece @ 1.80%



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