Ethyl 2-Chloroacetoacetate

Modify Date: 2024-01-01 20:59:13

Ethyl 2-Chloroacetoacetate Structure
Ethyl 2-Chloroacetoacetate structure
 Common Name Ethyl 2-Chloroacetoacetate
CAS Number 638-07-3 Molecular Weight 164.587
Density 1.2±0.1 g/cm3 Boiling Point 235.5±0.0 °C at 760 mmHg
Molecular Formula C6H9ClO3 Melting Point -8 °C
MSDS Chinese USA Flash Point 96.7±0.0 °C
Symbol GHS05 GHS06
GHS05, GHS06		 Signal Word Danger

 Names

Name Ethyl 4-chloroacetoacetate
Synonym More Synonyms

 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)

 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
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

 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%

 Articles26

More Articles
Construction of a two-strain system for asymmetric reduction of ethyl 4-chloro-3-oxobutanoate to (S)-4-chloro-3-hydroxybutanoate ethyl ester.

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...

 Synonyms

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
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