acetic anhydride
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IUPAC name :acetyl acetate
InChI :InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
InChIKey :WFDIJRYMOXRFFG-UHFFFAOYAH
SMILES :CC(=O)OC(=O)C
cas number :108-24-7
(EINECS) number :203-564-8
beilstein number :0385737
molar refractivity :22.38 ± 0.3 cm3
parachor :221.0 ± 4.0 cm3
index of refraction :1.386 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :1.072 ± 0.06 g/cm3
polarizability :8.87 ± 0.5 10-24cm3
XlogP : 0.70
XlogP3-AA : -0.10
molecular weight : 102.0886400 (IUPAC)
formula :C4 H6 O3
BioActivity Analysis :70799
NMR Predictor :Predict
 
 
export tariff code :2915.24.0000
fda reg :172.892

Suppliers :
Nanjing :Acetic anhydride
Penta :acetic anhydride
Pfaltz & Bauer :Acetic anhydride
99%
TCI AMERICA :Acetic Anhydride
(ca. 1mol/L in Dichloromethane)

organoleptics :
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
vinegar

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08000 @ 25.00 °C.
refractive index :1.39000 @ 20.00 °C.
melting point : -73.00 °C. @ 760.00 mm Hg
boiling point : 137.00 to 140.00 °C. @ 760.00 mm Hg
boiling point : 66.00 to 67.00 °C. @ 50.00 mm Hg
vapor pressure :5.10000 mm/Hg @ 25.00 °C.
vapor density :3.5 ( Air = 1 )
flash point : 120.00  °F.  TCC  ( 48.89 °C. )
logP (o/w) : -0.48
shelf life : 6.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
 moisture Sensitive.

safety :
most important hazard(s) :C - Corrosive.
  R 10 - Flammable.
R 20/22 - Harmful by inhalation and if swallowed.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 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.
Oral Toxicity(LD50) :
  Oral-Rat    1780.00  mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Dermal Toxicity(LD50) :
  Skin-Rabbit  4.0  ml/kg
Union Carbide Data Sheet. Vol. 8/7/1963

Inhalation Toxicity(LC50) :
  Inhalation-Rat  1000.00  ppm/4H
  "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 607, 1969.

 

safety in use :
 
recommendation for acetic anhydride usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
IUCLID :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
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1715
 
WGK Germany :1
 
 
 
 acetyl acetate
(EINECS) number :203-564-8
RTECS :108-24-7
chemidplus :000108247
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :108-24-7
dtp/nci :4530

references :
 acetyl acetate
NIST Chemistry WebBook :1636498698
pubchem :151027

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetanhydride
 acetyl acetate
 acetyl anhydride
 acetyl oxide
 ethanoic anhydride

soluble in :
 water, 120000 mg/L @ 20C

natural occurrence in :
not found in nature



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