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Basic information
- CAS
584-00-9- Standard SMILES
C#CC(C)CO- InChIKey
QDLPJHIEFRSZJK-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751488
Names & identifiers
- Preferred name
- 2-Methylbut-3-yn-1-ol
- IUPAC
- 2-methylbut-3-yn-1-ol
- English name
- 2-methylbut-3-yn-1-ol
- Molecular formula
- C5H8O
- Molecular weight
- 84.12
Names & synonyms
2-Methylbut-3-yn-1-ol2-methyl-3-butyn-1-ol584-00-9EINECS 209-525-1DTXSID40973946RefChem:475984DTXCID801401386209-525-12-methylbut-3-yn-ol2-Methyl-3-butyne-olSCHEMBL184683-Butyn-1-ol, 2-methyl-
Show more names
SCHEMBL445768SCHEMBL467393AKOS040805074DB-127817NS00043010
Database identifiers
- CAS
584-00-9- PubChem CID
- 102442
- DTXSID
DTXSID40973946- EC Number
- 209-525-1
- Nikkaji
- J188.450F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 67.3
Physicochemical properties
- Boiling point
- 140.7 · 140.7±13.0 °C(Predicted)
- Density
- 0.907 · 0.907±0.06 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.10(Predicted)
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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
3 records
Compound notes
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