1-Ethynyl-1-methoxycyclohexane
Basic information
- CAS
5240-36-8- Standard SMILES
C#CC1(OC)CCCCC1- InChIKey
XIAIXPAXBPDAQZ-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 1-Ethynyl-1-methoxycyclohexane
- IUPAC
- 1-ethynyl-1-methoxycyclohexane
- English name
- Cyclohexane, 1-ethynyl-1-methoxy-
- Molecular formula
- C9H14O
- Molecular weight
- 138.20686
Names & synonyms
1-Ethynyl-1-methoxycyclohexane5240-36-8Cyclohexane, 1-ethynyl-1-methoxy-MFCD080558661-ethynyl-1-methoxy-cyclohexaneSCHEMBL2565188SCHEMBL3330004DTXSID203404951-Ethynyl-1-methoxycyclohexane #AKOS006238792BS-47870CS-0528762
Show more names
E84436EN300-2481640F781511
Database identifiers
- CAS
5240-36-8- PubChem CID
- 565190
- DTXSID
DTXSID20340495- EC Number
- 117-551-9
- Nikkaji
- J472.473I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Suppliers
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Related reactions
2 records
Compound notes
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