Basic information
- CAS
4378-02-3- Standard SMILES
C#CC(C)(O)C1CC1- InChIKey
TXBLNDNWPNEHKV-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- alpha-Ethynyl-alpha-methylcyclopropanemethanol
- IUPAC
- 2-cyclopropylbut-3-yn-2-ol
- English name
- 2-Cyclopropyl-3-butyn-2-ol
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
4378-02-3RefChem:1076505alpha-Ethynyl-alpha-methylcyclopropanemethanol2-cyclopropylbut-3-yn-2-ol2-Cyclopropyl-3-butyn-2-olCyclopropanemethanol, alpha-ethynyl-alpha-methyl-3-Butyn-2-ol, 2-cyclopropyl-BRN 1924511SCHEMBL4275452SCHEMBL28956033DTXSID20963108TXBLNDNWPNEHKV-UHFFFAOYSA-N
Show more names
Cyclopropanemethanol, α-ethynyl-α-methyl-
ALBB-015057MFCD01656725SBB002556STK682543AKOS005175042ST40943114-06-00-00341 (Beilstein Handbook Reference)
Database identifiers
- CAS
4378-02-3- PubChem CID
- 199539
- DTXSID
DTXSID20963108- EC Number
- 161-655-7
- Nikkaji
- J65.787E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 145 · 145-146 °C
- Density
- 0.934 g/cm3 · 0.934 g/cm3
- pka
- 13.21 · 13.21±0.29(Predicted)
- EWG's Food Scores
- 1 · 1
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
MATRIX[email protected]
CBI-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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