nonane
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IUPAC name :nonane
InChI :InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
InChIKey :BKIMMITUMNQMOS-UHFFFAOYAS
SMILES :CCCCCCCCC
cas number :111-84-2
(EINECS) number :203-913-4
beilstein number :1696917
molar refractivity :43.74 ± 0.3 cm3
parachor :390.2 ± 4.0 cm3
index of refraction :1.408 ± 0.02
surface tension :23.5 ± 3.0 dyne/cm
density :0.724 ± 0.06 g/cm3
polarizability :17.34 ± 0.5 10-24cm3
XlogP : 5.50
molecular weight : 128.2551000
formula :C9 H20
BioActivity Analysis :17388847
NMR Predictor :Predict
 
 
export tariff code :2901.10.5000
fda reg :unspecified

organoleptics :
odor description :
gasoline

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.71800 @ 25.00 °C.
melting point : -53.00 °C. @ 760.00 mm Hg
boiling point : 149.00 to 152.00 °C. @ 760.00 mm Hg
boiling point : 70.00 to 71.00 °C. @ 50.00 mm Hg
vapor pressure :4.45000 mm/Hg @ 25.00 °C.
vapor density :4.41 ( Air = 1 )
flash point : 88.00  °F.  TCC  ( 31.11 °C. )
logP (o/w) : 4.76
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :Xn N - Harmful, Dangerous for the environment.
  R 10 - Flammable.
R 20 - Harmful by inhalation.
R 53 - May cause long-term adverse effects in the aquatic wnvironment.
R 65 - Harmful: may cause lung damage if swallowed.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  intravenous-Mouse    218.00  mg/kg
Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Inhalation-Rat  3200.00  ppm/4H
  
 

safety in use :
 
recommendation for nonane usage levels up to :
 not for fragrance use.
recommendation for nonane usage levels up to :
 not for flavor use.

safety references :
EPI System :view
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1920
 
WGK Germany :1
 
 
 
 nonane
(EINECS) number :203-913-4
RTECS :111-84-2
chemidplus :000111842
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :111-84-2
dtp/nci :72430

references :
 nonane
NIST Chemistry WebBook :1918053163
pubchem :151270

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
N-nonane
 nonyl hydride
 shellsol 140

soluble in :
 alcohol
 water, 220 mg/L @ 25C

insoluble in :
 water

natural occurrence in :
data pagecoriander leaf oil @ 0.36-1.28%
data pagegrapefruit oil c.p. russia @ 0.01%
data pagehypericum dogonbadanicum assadi oil iran @ 2.80%
data pagejambu flower oil brazil @ 0.20%
data pagelecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 1.10%
data pagelime oil distilled mexico @ 0.03%
data pagelime oil distilled peru @ 0.03%
data pagepittosporum spp. fruit oil malaysia @ 13.60%
data pagewitch hazel leaf oil @ 0.01%



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