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520-45-6

Name Dehydroacetic acid
CAS 520-45-6
EINECS(EC#) 212-227-4
Molecular Formula C8H8O4
MDL Number MFCD00066709
Molecular Weight 168.15
MOL File 520-45-6.mol

Chemical Properties

Appearance white to light yellow crystal powder
Melting point  111-113 °C (lit.)
Boiling point  270 °C (lit.)
density  1.1816 (rough estimate)
vapor pressure  0.001 hPa (20 °C)
refractive index  1.4611 (estimate)
Fp  157°C
storage temp.  0-6°C
solubility  2g/l
form  Fine Crystalline Powder
pka 5.53±0.40(Predicted)
color  Light yellow or cream
Odor almost odorless. slightly bitter-sweet taste.
PH 4 (2g/l, H2O, 20℃)
Stability: Stable. Incompatible with oxidizing agents, bases, reducing agents.
Water Solubility  500mg/L at 25℃
Usage Geogard(R) 221 preservative is based on dehydroacetic acid (DHA) and benzyl alcohol, and therefore is recognized by major cosmetic, toiletry and fragrance regulatory authorities worldwide for use in cosmetic and personal care products.
Detection Methods HPLC,NMR
Merck  14,2865
BRN  6129
InChIKey PGRHXDWITVMQBC-UHFFFAOYSA-N
LogP 0.78 at 20℃
Uses
Dehydroacetic Acid (DHA) is a preservative that is a crystalline powder with a solubility of less than 0.1 g in 100 g of water at 25°C. It can undergo a variety of chemical reactions which give it utility in many applications. It is used at 0.01–0.5% for microbiological growth inhibition in various foods. It is used for cut or peeled squash, with no more than 65 ppm remaining in or on the prepared squash.
CAS DataBase Reference 520-45-6(CAS DataBase Reference)
NIST Chemistry Reference Dehydroacetic Acid(520-45-6)
EPA Substance Registry System 520-45-6(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
WGK Germany  1
RTECS  UP8050000
Autoignition Temperature 336 °C
TSCA  Yes
HS Code  29322980
Safety Profile
Poison by ingestion. Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Combustible when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 520-45-6(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 1000 mg/kg (Spencer)

Hazard Information

Material Safety Data Sheet(MSDS)

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