toluene
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IUPAC name :toluene
InChI :InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey :YXFVVABEGXRONW-UHFFFAOYAT
SMILES :CC1=CC=CC=C1
cas number :108-88-3
(EINECS) number :203-625-9
eu annex :601-021-00-3
beilstein number :0635760
molar refractivity :31.07 ± 0.3 cm3
parachor :244.9 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.871 ± 0.06 g/cm3
polarizability :12.32 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 92.1384200
formula :C7 H8
NMR Predictor :Predict
 
 
export tariff code :2902.30.0000
fda reg :unspecified

organoleptics :
odor description :
at 10.00 %.  
sweet

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86500 @ 25.00 °C.
melting point : -95.00 to -94.00 °C. @ 760.00 mm Hg
boiling point : 110.00 to 111.00 °C. @ 760.00 mm Hg
boiling point : 36.00 to 37.00 °C. @ 50.00 mm Hg
vapor pressure :28.40000 mm/Hg @ 25.00 °C.
vapor density :3.2 ( Air = 1 )
flash point : 39.00  °F.  TCC  ( 3.89 °C. )
logP (o/w) : 2.73

safety :
most important hazard(s) :Xn - Harmful.
  R 11 - Highly flammable.
R 20 - Harmful by inhalation.
R 38 - Irritating to skin.
R 48 - Danger of serious damage to health by prolonged exposure.
R 63 - Possible risk of harm to the unborn child.
R 65 - Harmful: may cause lung damage if swallowed.
R 67 - Vapours may cause frowsiness and dizziness.
S 01/02 - Keep locked up and out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 36/37 - Wear suitable protective clothing and gloves.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Oral-Rat    636.00  mg/kg
Neurotoxicology. Vol. 2, Pg. 567, 1981.

intravenous-Rat    1960.00  mg/kg
Medicina del Lavoro. Industrial Medicine. Vol. 54, Pg. 486, 1963.

Intraperitoneal-Rat    1332.00  mg/kg
Environmental Research. Vol. 40, Pg. 411, 1986.

Dermal Toxicity(LD50) :
  Skin-Rabbit  14100.00  ul/kg
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Inhalation Toxicity(LC50) :
  Inhalation-Rat  49000.00  mg/m3/4H
  Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 23, 1988.

Inhalation-Rabbit  55000.00  ppm/40M
  Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.

 

safety in use :
 
IFRA critical Effect :Liver toxicity
IFRA fragrance material specification :
 The level of toluene has to be kept as low as practicable and should never exceed 100 ppm in the fragrance compound.
recommendation for toluene usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
recommendation for toluene usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
IFRA :IFRA - ( Found under : Toluene )
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 1294
 
WGK Germany :2
 
 
 
 toluene
(EINECS) number :203-625-9
RTECS :108-88-3
chemidplus :000108883
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :108-88-3

references :
 toluene
pubchem :151075

Cosmetics :
Cosmetic uses : antioxidants
solvents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search

soluble in :
 alcohol
 water, 526 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) used in :
 solvents

natural occurrence in :
data pagedill weed oil cuba @ trace%
data pagedill weed oil reunion @ 0.20%
data pagelavender oil spike spain @ 0.003%
data pageosmanthus absolute @ trace%
data pagepetitgrain sweet oil @ 0.08%



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