acrolein
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IUPAC name :prop-2-enal
InChI :InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2
InChIKey :HGINCPLSRVDWNT-UHFFFAOYAQ
SMILES :C=CC=O
cas number :107-02-8
(EINECS) number :203-453-4
eu annex :605-008-00-3
beilstein number :0741856
fl. number :05.176
molar refractivity :15.85 ± 0.3 cm3
parachor :149.3 ± 4.0 cm3
index of refraction :1.367 ± 0.02
surface tension :20.1 ± 3.0 dyne/cm
density :0.795 ± 0.06 g/cm3
polarizability :6.28 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 56.0632600 (IUPAC)
formula :C3 H4 O
BioActivity Analysis :74434
NMR Predictor :Predict
 
 
export tariff code :2912.19.5000
fda reg :172.892
176.300

Suppliers :
Nanjing :Acrolein
Pfaltz & Bauer :2-Propenal
95%
Sigma-Aldrich-Aldrich :Acrolein
90%

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
water content :<10%
Food Chemicals Codex Listed :No
specific gravity :0.83900 @ 25.00 °C.
refractive index :1.40250 @ 20.00 °C.
melting point : -87.00 °C. @ 760.00 mm Hg
vapor pressure :274.00000 mm/Hg @ 25.00 °C.
vapor density :1.94 ( Air = 1 )
flash point : -2.00  °F.  TCC  ( -18.89 °C. )
logP (o/w) : -0.01

safety :
most important hazard(s) :T N - Toxic, Dangerous for the environment.
  R 12 - Extremely flammable.
R 24/25 - Toxic in contact with skin and if swallowed.
R 26 - Very toxic by inhalation.
R 34 - Causes burns.
R 50 - Very toxic to aquatic organisms.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Oral-Mouse    13.90  mg/kg
National Technical Information Service. Vol. OTS0533812

Oral-Rabbit    7.00  mg/kg
Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials,Inc,1966 Vol -Pg 1,1966

Intraperitoneal-Rat    4.00  mg/kg
Toxicology and Applied Pharmacology. Vol. 71, Pg. 84, 1983.

Oral-Rat    26.00  mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993.

Dermal Toxicity(LD50) :
  Skin-Rabbit  200.00  mg/kg
Union Carbide Data Sheet. Vol. 6/18/1971

Subcutaneous-Rat  50.00  mg/kg
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Subcutaneous-Mouse  30.00  mg/kg
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Inhalation Toxicity(LC50) :
  Inhalation-Rat  18.00  mg/m3/4H
  Current Toxicology. Vol. 1, Pg. 47, 1993.

Inhalation-Mouse  66.00  ppm/6H
  Internationales Archiv fuer Arbeitsmedizin. Vol. 26, Pg. 281, 1970.

 

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

safety references :
EPI System :view
IUCLID :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
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
WISER :UN 1092
 
WGK Germany :3
 
 
 
 prop-2-enal
(EINECS) number :203-453-4
RTECS :107-02-8
chemidplus :000107028
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :107-02-8
dtp/nci :8819

references :
 prop-2-enal
fl. number :05.176
pubchem :150946

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acquinite
 acraldehyde
 acrylaldehyde
 acrylic aldehyde
 allyl aldehyde
 aqualin
 prop-2-en-1-al
 prop-2-enal
2-propen-1-al
2-propen-1-one
2-propenal

soluble in :
 alcohol
 water, 212000 mg/L @ 25C

natural occurrence in :
not found in nature



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