CAS 185-70-6 1-Oxaspiro[2.5]octane (HCID 9100)

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Basic information

CAS: 185-70-6
Standard SMILES: C1CCC2(CC1)CO2
InChIKey: VUEWYZJJYGPJDC-UHFFFAOYSA-N
Molecular formula: C7H12O
Average molar mass: 112.17 g/mol
Monoisotopic mass: 112.088815

Names & identifiers

Preferred name: 1-Oxaspiro[2.5]octane
IUPAC: 1-oxaspiro[2.5]octane
English name: Methylenecyclohexaneoxide
Molecular formula: C7H12O
Molecular weight: 112.17

Names & synonyms

1-Oxaspiro[2.5]octaneMethylenecyclohexane oxideOxaspirooctaneCyclohexylidene oxideSpirooxiranecyclohexane1-OXASPIRO(2.5)OCTANECCRIS 3535UNII-KP77M42CF6NSC 52756BRN 0103121KP77M42CF6NSC-52756

Show more names

Methylenecyclohexaneoxide2-methylene-1-cyclohexanolateSpiro[cyclohexane-1,2'-oxirane]Inchi=1/C7H12o/C1-2-4-7(5-3-1)6-8-7/H1-6h

DTXSID501716935-17-01-00217 (Beilstein Handbook Reference)CYCLOHEXANE, METHYLENE-, OXIDESPIRO(CYCLOHEXANE-1,.ALPHA.'-ETHYLENE OXIDE)RefChem:76809DTXCID2094184SPIRO(CYCLOHEXANE-1,ALPHA'-ETHYLENE OXIDE)838-019-9

Database identifiers

CAS: 185-70-6
PubChem CID: 9100
DTXSID: DTXSID50171693
UNII: KP77M42CF6
EC Number: 838-019-9
Nikkaji: J78.503B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 92.6

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Boiling point: 103 · 103-104 °C
Density: 0.98 · 0.98±0.1 g/cm3(Predicted)
EWG's Food Scores: 1 · 1
FDA UNII: 77 M42CF6 · KP77M42CF6
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
RIDADR: 1993 · 1993
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_class: 3.2
packing_group: III
Hazard statements: H226-H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P