Basic information
- CAS
15811-21-9- Standard SMILES
O=C1CCC2(CC1)CC2- InChIKey
PXIGSUWVCSOFMF-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- Spiro-[2.5]octan-6-one
- IUPAC
- spiro[2.5]octan-6-one
- English name
- SPIRO[2.5]OCTAN-6-ONE
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
Spiro-[2.5]octan-6-oneSpiro-(2.5)octan-6-oneRefChem:888798822-465-6Spiro[2.5]octan-6-one15811-21-9MFCD09868097Spiro [2.5]octan-6-oneSCHEMBL307414DTXSID40598451AKOS006314211AS-39575
Show more names
spiro[2.5]octan-6-one - [S83279]Spiro[2.5]octan-6-one (8CI, 9CI, ACI)8-methylidene-1,4-dioxaspiro[4.5]decane
SY105833CS-0038018EN300-114094F8888-2702Z1198235438FT-0738321A850086QAA81121
Database identifiers
- CAS
15811-21-9- PubChem CID
- 19371017
- DTXSID
DTXSID40598451- EC Number
- 822-465-6
- Nikkaji
- J1.505.285F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 194.2 · 194.2±8.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C8H12O/c9-7-1-3-8(4-2-7)5-6-8/h1-6H2
- InChIKey
- PXIGSUWVCSOFMF-UHFFFAOYSA-N
- SMILES
- C1C2(CCC(=O)CC2)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesSpiro[2.5]octan-6-one can be used as P2X3 inhibitors to treat P2X3 receptor dysfunction diseases.
Suppliers68 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
天津艾诺医药科技有限公司13269213627 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
Related reactions
10 records
Compound notes
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