Methyl acetoacetate

Suppliers

Names

[ CAS No. ]:
105-45-3

[ Name ]:
Methyl acetoacetate

[Synonym ]:
EINECS 203-299-8
Methyl 3-oxobutanoate
Butanoic acid, 3-oxo-, methyl ester
Methyl acetoacetate
3-Oxobutyric acid methyl ester
Acetoacetic Acid Methyl Ester
methyl acetoacetate(MAA)
MFCD00008784
Methyl 3-Oxobutyrate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
169.4±8.0 °C at 760 mmHg

[ Melting Point ]:
-28 °C

[ Molecular Formula ]:
C5H8O3

[ Molecular Weight ]:
116.115

[ Flash Point ]:
61.6±18.5 °C

[ Exact Mass ]:
116.047340

[ PSA ]:
43.37000

[ LogP ]:
0.19

[ Vapour Pressure ]:
1.5±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.399

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
460 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AK5775000
CHEMICAL NAME :
Acetoacetic acid, methyl ester
CAS REGISTRY NUMBER :
105-45-3
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C5-H8-O3
MOLECULAR WEIGHT :
116.13
WISWESSER LINE NOTATION :
1V1VO1

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 onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,815,1978
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 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3228 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84355 No. of Facilities: 23 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 270 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84355 No. of Facilities: 30 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 1872 (estimated) No. of Female Employees: 336 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26

[ WGK Germany ]:
1

[ RTECS ]:
AK5775000

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diketene
  • Methanol
  • tert-Butyl acetoacetate
  • Methyl (2E)-2-butenoate
  • methyl 3-hydroxybutanoate
  • Methyl acetate
  • Citric Acid
  • Meldrumic acid
  • Acetyl chloride
  • carbon monoxide

DownStream

  • 1,4-diacetyl-3-hydroxy-2H-pyrrol-5-one
  • 4-Nitrophenol
  • 6,10-Dimethyl-5,9-undecadien-2-one
  • PSEUDOIONONE
  • 10-methyl-6-methyleneundeca-3,9-dien-2-one
  • 10-methyl-6-methylideneundec-9-en-2-one
  • methyl 2-[(2,4-dichlorophenyl)methylidene]-3-oxobutanoate
  • (5E,8Z)-6,10-dimethyl-undeca-5,8,10-trien-2-one
  • 10-methyl-6-methylideneundeca-8,10-dien-2-one
  • 5-Methyl-2-phenyl-oxazole-4-carboxylic acid Methyl ester

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%

Articles

Heparin molecularly imprinted surfaces for the attenuation of complement activation in blood.

Biomater. Sci. 3 , 1208-17, (2015)

Heparin-imprinted synthetic polymer surfaces with the ability to attenuate activation of both the complement and the coagulation system in whole blood were successfully produced. Imprinting was achiev...

Frataxin knockdown in human astrocytes triggers cell death and the release of factors that cause neuronal toxicity.

Neurobiol. Dis. 76 , 1-12, (2015)

Friedreich's ataxia (FA) is a recessive, predominantly neurodegenerative disorder caused in most cases by mutations in the first intron of the frataxin (FXN) gene. This mutation drives the expansion o...

Magnetic high throughput screening system for the development of nano-sized molecularly imprinted polymers for controlled delivery of curcumin.

Analyst 140(9) , 3113-20, (2015)

Curcumin is a versatile anti-inflammatory and anti-cancer agent known for its low bioavailability, which could be improved by developing materials capable of binding and releasing drug in a controlled...


More Articles

Related Compounds

  • Methyl acetoacetate
  • methyl acetoacetate
  • Methyl acetoacetate
  • Methyl acetoacetate dianion
  • methyl acetoacetate, [3-14c]
  • methyl acetoacetate dithioketal
  • 5-bromo-2-methyl-N-(3-methylpyridin-4-yl)thiophene-3-sulfonamide
  • N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
  • 3-((((2-(Tert-butyl)thiazol-5-yl)methyl)amino)methyl)pentan-1-ol
  • 1-(4-((2-(Dimethylamino)ethyl)thio)-3-nitrophenyl)ethan-1-one
  • N-(1-cyano-2-methylpropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
  • {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetic acid
  • 3-{[(2-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio}propanoic acid
  • 4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
  • 2-(6-acetyl-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid
  • 2-Amino-3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propanoic acid
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.