ChemicalBook--->CAS DataBase List--->4418-26-2

4418-26-2

4418-26-2 Structure

4418-26-2 Structure
IdentificationMore
[Name]

Sodium dehydroacetate
[CAS]

4418-26-2
[Synonyms]

2-ACETYL-5-HYDROXY-3-OXO-4-HEXENOIC ACID DELTA-LACTONE SODIUM SALT
2-ACETYL-5-HYDROXY-3-OXO-4-HEXENOIC ACID GAMMA-LACTONE SODIUM SALT
3-(1-hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione sodium salt
3-ACETYL-4-HYDROXY-6-METHYL-2-PYRONE SODIUM SALT
3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONE SODIUM SALT
acetyl-6-methyl-2h-pyran-2,4(3h)-dione sodium
DEHYDROACETIC ACID SODIUM SALT
Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate
SODIUM 3-ACETYL-4-HYDROXY-6-METHYL-2-OXO-4(2H)-PYRANOLATE
SODIUM DEHYDROACETATE
2H-Pyran-2,4(3H)-dione,3-acetyl-6-methyl-,ion(1-),sodium
3-(1-hydroxyethylidene)-6-methyl-2h-pyran-2,4(3h)-dione,sodiumsalt[qr]
4(3h)-dione,3-acetyl-6-methyl-2h-pyran-sodiumsalt
4(3h)-dione,3-acetyl-6-methyl-2h-pyran-sodiumsalt[qr]
4-hexenoicacid,2-acetyl-5-hydroxy-3-oxo,delta-lactone,sodiumderiv.
4-hexenoicacid,2-acetyl-5-hydroxy-3-oxo,delta-lactone,sodiumderivative[qr
dehydroacetic
dehydroaceticacid,sodiumsalt[qr]
dha-sodium
dhn
[EINECS(EC#)]

224-580-1
[Molecular Formula]

C8H7NaO4
[MDL Number]

MFCD00040583
[Molecular Weight]

190.13
[MOL File]

4418-26-2.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[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 ]

24/25
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium bicarbonate-->Dehydroacetic acid
Hazard InformationBack Directory
[General Description]

White powder. Used as a fungicide, plasticizer, toothpaste, preservative in food.
[Reactivity Profile]

SODIUM DEHYDROACETATE(4418-26-2) reacts with acids. May react viogrously with strong oxidizing acids.
[Air & Water Reactions]

Water soluble.
[Chemical Properties]

White to yellowish powder
[Flammability and Explosibility]

Notclassified
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate(4418-26-2).msds
Questions and Answers (Q&A)Back Directory
[Description]

Sodium dehydroacetate is the sodium salt of dehydroacetate. It is mainly used as a new generation food preservative and food additive, being used extensively in sauce, fruit, bread, cake, moon cake, margarine and beverage. Sodium dehydroacetate (DHA-S) has a wide spectrum of antimicrobial activity that accounts for its use in cosmetic products as a preservative and antimicrobial agent. It is effective in the treatment of both bacteria and fungi. It is also a kind of anticoagulant agent through depleting the blood level of vitamin K.
[References]

Forester, John. "Preservative solutions containing sodium dehydroacetate with or without sodium borate decahydrate and/or disodium edetate." US, US4248634. 1981.
Sakaguchi, Yuka, et al. "Anticoagulant effect of sodium dehydroacetate (DHA-S) in rats." Journal of Applied Toxicology 28.4(2008):524-529.
Ye, Yinzhi. "Use of Sodium Dehydroacetate in Food." China Food Additives (2002).
Spectrum DetailBack Directory
[Spectrum Detail]

Sodium dehydroacetate(4418-26-2)1HNMR
Sodium dehydroacetate(4418-26-2)13CNMR
Sodium dehydroacetate(4418-26-2)IR1
Sodium dehydroacetate(4418-26-2)IR2
Sodium dehydroacetate(4418-26-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dehydroacetic acid sodium salt, 99%(4418-26-2)
[Alfa Aesar]

Sodium dehydroacetate, 97%(4418-26-2)
[Sigma Aldrich]

4418-26-2(sigmaaldrich)
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