CAS 24922-02-9 Ethyl 3-cyclopropyl-3-oxopropanoate (HCID 262979)

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Basic information

CAS: 24922-02-9
Standard SMILES: CCOC(=O)CC(=O)C1CC1
InChIKey: LFSVADABIDBSBV-UHFFFAOYSA-N
Molecular formula: C8H12O3
Average molar mass: 156.18 g/mol
Monoisotopic mass: 156.07864424

Names & identifiers

Preferred name: Ethyl 3-cyclopropyl-3-oxopropanoate
IUPAC: ethyl 3-cyclopropyl-3-oxopropanoate
English name: 3-Cyclopropyl-3-oxo-propionic acid ethyl ester
Molecular formula: C8H12O3
Molecular weight: 156.18

Names & synonyms

ethyl 3-cyclopropyl-3-oxopropanoate24922-02-9DTXSID60294564RefChem:138690DTXCID10245703607-452-33-Cyclopropyl-3-oxo-propionic acid ethyl esterMFCD00184570Ethyl 3-cyclopropyl-3-oxopropionateethyl-3-cyclopropyl-3-oxopropanoateCYCLOPROPANEPROPANOIC ACID, BETA-OXO-, ETHYL ESTER3-Cyclopropyl-3-oxo-propionic aicd ethyl ester

Show more names

Ethyl β-oxo-cyclopropanepropionateCarbethoxymethyl cyclopropyl ketone10Ethyl 3-cyclopropyl-3-oxopropanoateEthyl beta-oxo-Cyclopropane Propionateβ-Oxocyclopropanepropanoic athyl ester3-Cyclopropyl-3-oxo-propionicethyl esterEthyl 3-cyclopropyl-3-oxopropionate, 97%3-Cyclopropyl-3-oxopropionate ethyl esterβ-Oxocyclopropanepropanoic acid ethyl ester

Ethyl 3-cyclopropyl-3-oxo-propanoateNSC 97121249922-02-9NSC97121ethyl 3-cyclopropyl-3-oxo-propionateNCIOpen2_001813ethyl cyclopropylcarbonylacetateSCHEMBL1014646

Database identifiers

CAS: 24922-02-9
PubChem CID: 262979
DTXSID: DTXSID60294564
EC Number: 607-452-3
Nikkaji: J1.054.503J

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 73 ℃/1mm · 73℃/1mm
Density: 1.058 g/mL · 1.058 g/mL at 25 °C
refractive index: 20 · n20/D1.449
Flash point: 96 ℃ · >96℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 10.61 · 10.61±0.20(Predicted)
color: Colourless
InChI: InChI=1S/C8H12O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6H,2-5H2,1H3
InChIKey: LFSVADABIDBSBV-UHFFFAOYSA-N
SMILES: C1(CC1)C(=O)CC(=O)OCC
CAS DataBase Reference: 24922 · 24922-02-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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.