Methyl diacetoacetate

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Names

[ CAS No. ]:
4619-66-3

[ Name ]:
Methyl diacetoacetate

[Synonym ]:
Diacetessigsaeure-methylester
ACETOACETIC ACID,2-ACETYL-,METHYL ESTER
Methyl 2-acetylacetoacetate
2-Acetyl-3-oxo-buttersaeure-methylester
2-acetyl-3-oxo-butyric acid methyl ester
Methyl diacetoacetate
EINECS 225-031-9
diacetoacetic acid methyl ester
Methyl diacetylacetate

Chemical & Physical Properties

[ Density]:
1.112g/cm3

[ Boiling Point ]:
209ºC at 760 mmHg

[ Molecular Formula ]:
C9H16O4

[ Molecular Weight ]:
188.22100

[ Flash Point ]:
82.4ºC

[ Exact Mass ]:
188.10500

[ PSA ]:
60.44000

[ LogP ]:
1.12390

[ Index of Refraction ]:
1.423

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AK4900000
CHEMICAL NAME :
Acetoacetic acid, 2-acetyl-, methyl ester
CAS REGISTRY NUMBER :
4619-66-3
BEILSTEIN REFERENCE NO. :
1706278
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H10-O4
MOLECULAR WEIGHT :
158.17
WISWESSER LINE NOTATION :
1VYV1&VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,729,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948

Safety Information

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • Methyl 2-hydroxy-2-(trifluoromethyl)-4-pentynoate
  • methyl 3-azido-2-methylidenehexanoate
  • methyl 3-azido-4-methyl-2-methylidenehexanoate
  • methyl 4-bromo-5-hydroxyhexanoate
  • methyl (3S)-3-hydroxy-5-methylhexanoate
  • methyl 6-(2-hydroxyethoxy)hexanoate
  • N-(prop-2-yn-1-yl)oxepan-4-amine
  • 2-(5-Fluoro-pyridin-3-yl)-7-trifluoromethyl-3,4-dihydro-2H-isoquinolin-1-one
  • 7-Methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-2-amine
  • 2-(Thiophen-2-ylmethyl)pyrimidine-4-carboxylic acid
  • 2-(4-Methylpiperazin-1-yl)pyrimidine-4-carboxylic acid
  • 2-(Pyridin-3-yl)pyrimidine-4-carboxylic acid
  • 1-Bromo-4-(2-bromopropyl)benzene
  • 2-(3-Fluorophenyl)pyrimidine-4-carboxylic acid
  • 4-(Chloromethyl)-2-(4-chlorophenyl)pyrimidine
  • 1-{1,4-Diazaspiro[5.5]undecan-1-yl}-2,2,2-trifluoroethan-1-one
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