Basic information
- CAS
1966-65-0- Standard SMILES
CCC(C)(O)C#Cc1ccccc1- InChIKey
MTBIBEIZKLZPIM-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 1-Pentyn-3-ol, 3-methyl-1-phenyl-
- IUPAC
- 3-methyl-1-phenylpent-1-yn-3-ol
- English name
- 1-Phenyl-4-methyl-1-pentyn-3-ol
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
1966-65-03-Methyl-1-phenyl-1-pentyn-3-ol1-Phenyl-3-methyl-1-pentyn-3-ol1-Pentyn-3-ol, 3-methyl-1-phenyl-EINECS 217-814-9DTXSID10883785RefChem:76904DTXCID5010232723-Methyl-1-phenylpent-1-yn-3-ol3-Methyl-1-phenyl-pent-1-yn-3-olMFCD000415761-Pentyn-3-ol,3-methyl-1-phenyl-
Show more names
TIMTEC-BB SBB008969TIMTEC-BB SBB0089681-Phenyl-4-methyl-1-pentyn-3-ol4-METHYL-1-PHENYL-1-PENTYN-3-OL4-METHYL-1-PHENYL-PENT-1-YN-3-OL1-Phenyl-3-methyl-1-pentyne-3-ol
SCHEMBL2116544SCHEMBL2116984SCHEMBL2118609SCHEMBL11048323methylethyl(phenylethynyl) carbinolAKOS006230674NS00046622
Database identifiers
- CAS
1966-65-0- PubChem CID
- 102729
- DTXSID
DTXSID10883785- EC Number
- 217-814-9
- Nikkaji
- J199.789K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Density
- 1.3581 g/mL · 1.3581g/mL at 25°C
- refractive index
- 20 · n20/D 1.549
- form
- solid
- EPA Substance Registry System
- 1 · 1-Pentyn-3-ol, 3-methyl-1-phenyl- (1966-65-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Pentyn-3-ol, 3-methyl-1-phenyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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