Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester

HCID 373318

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Basic information

CAS: 51656-91-8
Standard SMILES: CCOC(=O)C=C1CCC2(CC1)OCCO2
InChIKey: UIWISFUVNHCOBJ-UHFFFAOYSA-N
Molecular formula: C12H18O4
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.12050906

Names & identifiers

Preferred name: Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
IUPAC: ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
English name: ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
Molecular formula: C12H18O4
Molecular weight: 226.27

Names & synonyms

51656-91-8Acetic acid, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-, ethyl esterAcetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl esterRefChem:316416ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetateEthyl 1,4-dioxaspiro[4.5]dec-8-ylideneacetateMFCD07779434NSC649463ETHYL 2-{1,4-DIOXASPIRO[4.5]DECAN-8-YLIDENE}ACETATE(1,4-Dioxa-spiro[4.5]dec-8-ylidene)-acetic acid ethyl esterethyl2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetateBCA65691

Show more names

NSC 649463Aceticacid, 1,4-dioxaspiro[4.5ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate-248-[(Ethoxycarbonyl)methylidene]-1,4-dioxaspiro[4.5]decane4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-cyclohexa-2,5-dienone2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetic acid ethyl ester

NSC-649463DS-6600EN300-100965Ethyl (1,4-dioxa-spiro[4.5]dec-8-ylidene)acetateSCHEMBL337729CHEMBL1992526UIWISFUVNHCOBJ-UHFFFAOYSA-NAcetic acid, 1,4-dioxaspiro[4.5]dec-8-ylidene-, ethyl ester

Database identifiers

CAS: 51656-91-8
PubChem CID: 373318
DTXSID: DTXSID901174045
ChEMBL: CHEMBL1992526

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 277

Physicochemical properties

Boiling point: 327.8 · 327.8±42.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312