4418-26-2

Name Sodium dehydroacetate
CAS 4418-26-2
EINECS(EC#) 224-580-1
Molecular Formula C8H7NaO4
MDL Number MFCD00040583
Molecular Weight 190.13
MOL File 4418-26-2.mol
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Chemical Properties

Appearance White to yellowish powder
Melting point  ~295 °C (dec.)
bulk density 500-550kg/m3
density  1.499[at 20℃]
vapor pressure  0Pa at 25℃
storage temp.  Store below +30°C.
solubility  330g/l
form  Powder
pka 5.36[at 20 ℃]
color  White to yellow
PH 8.8-9.3 (100g/l, H2O, 20℃)
Stability: Stable. Incompatible with strong oxidizing agents.
Water Solubility  Soluble in water, propylene glycol and methanol. Insoluble in acetone and benzene.
Usage Geogard(R) 111S preservative is based on dehydroacetic acid (DHA), the sodium salt form (NaDHA) and therefore are recognized by major cosmetic, toiletry and fragrance regulatory authorities worldwide for use in cosmetic and personal care products.
BRN  4893653
Cosmetics Ingredients Functions PRESERVATIVE
InChI 1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,10H,1-2H3;/q;+1/p-1
InChIKey ZPNRBQVNNIDJHX-UHFFFAOYSA-M
SMILES [Na+].CC(=O)C1=C([O-])C=C(C)OC1=O
LogP -4.38 at 20℃
Uses
sodium dehydroacetate is a preservative against bacteria and fungi that is used at concentration levels of 1.0 percent or less. It is useful in combination with parabens. It may cause skin irritation.
CAS DataBase Reference 4418-26-2(CAS DataBase Reference)
EPA Substance Registry System 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium (4418-26-2)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
WGK Germany  1
RTECS  UP8225000
Autoignition Temperature 360 °C
TSCA  Yes
REACH Registrations Active
HS Code  29322980
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. An eye irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of Na2O
Hazardous Substances Data 4418-26-2(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 500 mg/kg

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