CAS 13275-31-5 Ethylcyclohexyl(oxo)acetate (HCID 11041407)

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Basic information

CAS: 13275-31-5
Standard SMILES: CCOC(=O)C(=O)C1CCCCC1
InChIKey: MAOUXDYQHDQFFV-UHFFFAOYSA-N
Molecular formula: C10H16O3
Average molar mass: 184.23 g/mol
Monoisotopic mass: 184.10994437

Names & identifiers

Preferred name: Ethylcyclohexyl(oxo)acetate
IUPAC: ethyl 2-cyclohexyl-2-oxoacetate
English name: Ethyl 2-cyclohexyl-2-oxoacetate
Molecular formula: C10H16O3
Molecular weight: 184.23

Names & synonyms

Ethylcyclohexyl(oxo)acetateRefChem:596578813-350-1ethyl 2-cyclohexyl-2-oxoacetate13275-31-5ethyl cyclohexyl(oxo)acetateMFCD09055348Cyclohexaneacetic acid, alpha-oxo-, ethyl esterETHYL2-CYCLOHEXYL-2-OXOACETATEEthyl 2-cyclohexyl-2-oxo-acetateEthyl cyclohexyloxoacetateSCHEMBL534242

Show more names

Cyclohexaneacetic acid, α-oxo-, ethyl esterethyl cyclohexyl(oxo)acetate(SALTDATA: FREE)

PEAKDALE 2019207DTXSID50452974MAOUXDYQHDQFFV-UHFFFAOYSA-NEthyl2-cyclohexyl-2-oxoacetate90%SBB090183AKOS006280783Ethyl 2-cyclohexyl-2-oxoacetate 90%AS-50606

Database identifiers

CAS: 13275-31-5
PubChem CID: 11041407
DTXSID: DTXSID50452974
EC Number: 813-350-1
Nikkaji: J1.041.394J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 192

Physicochemical properties

storage temp.: Store at room temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: liquid
color: Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2902190000 · 2902190000

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.