1,4-Dioxaspiro(4.6)undec-6-ene
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Basic information
- CAS
1728-24-1- 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 propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Comptox DTXSID
- 90299401 · DTXSID90299401
- HS Code
- 2932999099 · 2932999099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2932999099
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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