CAS 14794-31-1 Butanoic acid, 4-chloro-4-oxo-, ethyl ester (HCID 84648)

Names & identifiers

Preferred name: Butanoic acid, 4-chloro-4-oxo-, ethyl ester
IUPAC: ethyl 4-chloro-4-oxobutanoate
English name: Ethyl Succinyl Chloride
Molecular formula: C6H9ClO3
Molecular weight: 164.59

Names & synonyms

14794-31-1Ethyl 4-chloro-4-oxobutanoateEthyl succinyl chlorideButanoic acid, 4-chloro-4-oxo-, ethyl esterEthyl succinoyl chloridePropionic acid, 3-(chloroformyl)-, ethyl ester3-Carboethoxypropionyl chlorideEINECS 238-855-9DTXSID4065818.beta.-Carbethoxypropionyl chloride.beta.-Ethoxycarbonylpropionyl chlorideRefChem:122120

Show more names

SKL1293oro-4-oxobutyrateEthyl siccinyl chlorideETHYLSS-BENZOYLACRYLATE

beta-Carbethoxypropionyl chlorideDTXCID5034806beta-Ethoxycarbonylpropionyl chlorideIXZFDJXHLQQSGQ-UHFFFAOYSA-NEthyl 4-chloro-4-oxobutyrateEthyl 3-(chloroformyl)propionate3-ethoxycarbonylpropionyl chlorideMFCD00000751

Database identifiers

CAS: 14794-31-1
PubChem CID: 84648
DTXSID: DTXSID4065818
UNII: CFH5LG292R
EC Number: 238-855-9
Nikkaji: J24.719G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 88 · 88-90 °C11 mm Hg(lit.)
Density: 1.155 g/mL · 1.155 g/mL at 25 °C(lit.)
vapor pressure: 48.2 Pa · 48.2Pa at 25℃
refractive index: 20 · n20/D 1.437(lit.)
Flash point: 184 °F · 184 °F
storage temp.: 2 · 2-8°C
solubility: soluble in Chloroform, Ethyl Acetate
form: Liquid
Specific Gravity: 1.144 to · 1.144 to 1.17
color: Clear colorless to yellow
Water Solubility: 59.01 g/L · 59.01g/L at 25℃
Sensitive: Moisture Sensitive
BRN: 1766126 · 1766126
InChI: 1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
InChIKey: IXZFDJXHLQQSGQ-UHFFFAOYSA-N
SMILES: CCOC(=O)CCC(Cl)=O
LogP: 0.05 · 0.05
CAS DataBase Reference: 14794 · 14794-31-1(CAS DataBase Reference)
FDA UNII: 5 LG292R · CFH5LG292R
NIST Chemistry Reference: 4 · Butanoic acid, 4-chloro-4-oxo-, ethyl ester(14794-31-1)
EPA Substance Registry System: 4 · Butanoic acid, 4-chloro-4-oxo-, ethyl ester (14794-31-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37-14
Safety Statements: 26 · 26-27-36/37/39-45-24/25
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29171990 · 29171990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413

Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.5%)；Skin Corr. 1C (100%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413

Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29171990
risk_code: 34-36/37-14
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45-24/25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanoic acid, 4-chloro-4-oxo-, ethyl ester: ACTIVE

Applications

UsesEthyl 4-chloro-4-oxobutyrate was used in the synthesis of:polymer-supported bifunctional catalystsuccinimidyl ester of benzo(a)pyrenesuccinate prodrugs of curcuminoids

Upstream & downstream products

Upstream raw materials

Downstream products

5-hydroxy-4-oxopentanoic acid 2-[(4-ETHOXY-1,4-DIOXOBUTYL)AMINO]BENZOIC ACID ETHYL ESTER ETHYL 4-[3,4-(ETHYLENEDIOXY)PHENYL]-4-OXOBUTYRATE Ethyl 4-(2-thiazolyl)-4-oxobutyrate ETHYL 4-(4-METHOXY-3-METHYLPHENYL)-4-OXOBUTANOATE ETHYL 4-(2,4-DIMETHOXYPHENYL)-4-OXOBUTYRATE ETHYL 4-(3,5-DIMETHOXYPHENYL)-4-OXOBUTYRATE ETHYL 4-OXO-4-(3-THIENYL)BUTYRATE 4-Oxooctanoic acid ethyl ester

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

48 records

New reaction record

HRID 30689As reactantuspto-grants-2008_09

HRID 89738As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 92103As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112579As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 195672As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 199285As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 302400As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 405072As reactantuspto-grants-2014_06

Compound notes

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Basic information