Ethyl 2-Chloroacetoacetate
Names
[ CAS No. ]:
638-07-3
[ Name ]:
Ethyl 2-Chloroacetoacetate
[Synonym ]:
4-chloro ethyl acetoacetate
Ethyl4-chloroacetoacetate
Ethyl (chloroacetyl)acetate
Butanoic acid, 4-chloro-3-oxo-, ethyl ester
Butanoic acid, 4-chloro-3-oxo-ethylester
Ethyl g-chloroacetoacetate
Ethyl-4-chloracetoacetat
Ethyl 4-chloroacetoa
Ethyl 4-chloro-3-oxobutyrate
4-Chloro-acetoacetic
ethyl 2-chloro-acetoacetate
Ethyl 4-chloro-3-oxobutanoate
MFCD00000939
Ethyl-4chloroacetaacetate
Ethyl 2-Chloroacetoacetate
Ethyl α-chloroacetoacetate
2-Chloroacetoacetic acid ethyl ester
Ethyl 4-chloroacetoacetate
EINECS 211-317-0
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
235.5±0.0 °C at 760 mmHg
[ Melting Point ]:
-8 °C
[ Molecular Formula ]:
C6H9ClO3
[ Molecular Weight ]:
164.587
[ Flash Point ]:
96.7±0.0 °C
[ Exact Mass ]:
164.024017
[ PSA ]:
43.37000
[ LogP ]:
1.54
[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.436
[ Storage condition ]:
2-8°C
[ Water Solubility ]:
47.5 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AK5110000
- CHEMICAL NAME :
- Acetoacetic acid, 4-chloro-, ethyl ester
- CAS REGISTRY NUMBER :
- 638-07-3
- BEILSTEIN REFERENCE NO. :
- 1761275
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C6-H9-Cl-O3
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555360
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 108 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,695,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555360
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 88 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,695,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 750 mg/kg/15D-I
- TOXIC EFFECTS :
- Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Liver - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555360
Safety Information
[ Symbol ]:
GHS05, GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301-H314
[ Precautionary Statements ]:
P280-P301 + P310-P305 + P351 + P338-P310
[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic;N:Dangerousfortheenvironment;
[ Risk Phrases ]:
R24/25;R34;R51/53
[ Safety Phrases ]:
S26-S36-S45-S61-S36/37/39
[ RIDADR ]:
UN 2922 8/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
AK5110000
[ Packaging Group ]:
II
[ Hazard Class ]:
8
[ HS Code ]:
2918990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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
Appl. Microbiol. Biotechnol. 70(1) , 40-6, (2006)
Escherichia coli M15 (pQE30-car0210) was constructed to express carbonyl reductase (CAR) by cloning the car gene from Candida magnoliae and inserting it into pQE30. By cultivating E. coli M15 (pQE30-c...
Purification and characterization of an alpha-haloketone-resistant formate dehydrogenase from Thiobacillus sp. strain KNK65MA, and cloning of the gene.Biosci. Biotechnol. Biochem. 67(10) , 2145-53, (2003)
Thiobacillus sp. strain KNK65MA, which produced an NAD-dependent formate dehydrogenase (FDH) highly resistant to alpha-haloketones, was newly isolated, i.e., the enzyme showed no loss of activity afte...
A novel carbonyl reductase from Pichia stipitis for the production of ethyl (S)-4-chloro-3-hydroxybutanoate.Biotechnol. Lett. 31(4) , 537-42, (2009)
An NADPH-dependent carbonyl reductase (PsCR) gene from Pichia stipitis was cloned. It contains an open reading frame of 849 bp encoding 283 amino acids whose sequence had less than 60% identity to kno...