Diacetone acrylamide Structure

Diacetone acrylamide

Chemical Properties

Melting point 54-56 °C (lit.)
Boiling point 120 °C (8 mmHg)
Density  1.0873 (rough estimate)
vapor pressure  0.109Pa at 20℃
refractive index  1.4200 (estimate)
Flash point >230 °F
storage temp.  Inert atmosphere,Room Temperature
pka 14.12±0.46(Predicted)
form  Crystalline Powder or Flakes
color  White to cream
Water Solubility  soluble
Sensitive  Hygroscopic
Merck  14,2963
BRN  1928444
InChI 1S/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)
InChIKey OMNKZBIFPJNNIO-UHFFFAOYSA-N
SMILES CC(=O)CC(C)(C)NC(=O)C=C
LogP 0.321 at 21℃
CAS DataBase Reference 2873-97-4(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances DIACETONE ACRYLAMIDE
FDA 21 CFR 175.105
FDA UNII 3Z8J3430Z2
NIST Chemistry Reference 2-Propenamide, n-(1,1-dimethyl-3-oxobutyl)-(2873-97-4)
EPA Substance Registry System N-(1,1-Dimethyl-3-oxobutyl)acrylamide (2873-97-4)
UNSPSC Code 12162002
NACRES NA.23

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335-H302
Precautionary statements P264-P270-P301+P312+P330-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xn
Risk Statements  22
Safety Statements  23-24/25
WGK Germany  1
RTECS  AS3475000
F  3
TSCA  TSCA listed
HS Code  29241990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 2873-97-4(Hazardous Substances Data)
Toxicity LD50 orally in mice: 7.7 mmol/kg (Hashimoto)
NFPA 704:
1
2 1

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