1,4-Dioxaspiro(4.6)undec-6-ene

HCID 279481CAS 1728-24-1

Substructure search Find similar structures

Basic information

Standard SMILES: C1=CC2(CCCC1)OCCO2
InChIKey: CQAUTOXIUPPFQV-UHFFFAOYSA-N
Molecular formula: C9H14O2
Average molar mass: 154.21 g/mol
Monoisotopic mass: 154.09937969

Names & identifiers

Preferred name: 1,4-Dioxaspiro(4.6)undec-6-ene
IUPAC: 1,4-dioxaspiro[4.6]undec-6-ene
English name: 1,4-Dioxaspiro[4.6]undec-6-ene
Molecular formula: C9H14O2
Molecular weight: 154.21

Names & synonyms

1,4-Dioxaspiro[4.6]undec-6-ene1728-24-1DTXSID902994011,4-Dioxaspiro(4.6)undec-6-eneRefChem:220788DTXCID50250538CQAUTOXIUPPFQV-UHFFFAOYSA-N1,4-dioxaspiro[4.6]undec-10-ene1,4-Dioxa-spiro[4.6]undec-6-ene2-cycloheptenone ethylene ketalMFCD00667727NSC130060

Show more names

SCHEMBL7364578AKOS024050357NSC-130060DA-30205

Database identifiers

CAS: 1728-24-1
PubChem CID: 279481
DTXSID: DTXSID90299401
EC Number: 105-526-5
Nikkaji: J113.234B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+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.