Basic information
- CAS
835-78-9- Standard SMILES
OCc1ccccc1CCc1ccccc1- InChIKey
CPZRYQJPVUJHOS-UHFFFAOYSA-N- Molecular formula
- C15H16O
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.12011513
Names & identifiers
- Preferred name
- o-Phenethylbenzyl alcohol
- IUPAC
- [2-(2-phenylethyl)phenyl]methanol
- English name
- 2-Phenethylbenzyl alcohol
- Molecular formula
- C15H16O
- Molecular weight
- 212.29
Names & synonyms
2-Phenethylbenzyl alcohol835-78-9[2-(2-Phenylethyl)phenyl]methanolo-Phenethylbenzyl alcohol2-(2-PHENYLETHYL)BENZENEMETHANOLP26YX6E7FYEINECS 212-644-1NSC 97450NSC-97450DTXSID50232410BENZYL ALCOHOL, O-PHENETHYL-(2-(2-PHENYLETHYL)PHENYL)METHANOL
Show more names
2-Phenethylbenzenemethanol2-Phenethylbenzyl alcohol 98%2-(2-Phenylethyl)benzyl alcohol
RefChem:167286DTXCID50154901212-644-1CPZRYQJPVUJHOS-UHFFFAOYSA-N(2-phenethylphenyl)methanolBenzenemethanol, 2-(2-phenylethyl)-MFCD00004628UNII-P26YX6E7FY
Database identifiers
- CAS
835-78-9- PubChem CID
- 70040
- DTXSID
DTXSID50232410- UNII
- P26YX6E7FY
- EC Number
- 212-644-1
- Nikkaji
- J195.107F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 56 · 56-59 °C (lit.)
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C15H16O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2
- InChIKey
- CPZRYQJPVUJHOS-UHFFFAOYSA-N
- SMILES
- OCc1ccccc1CCc2ccccc2
- FDA UNII
- 26 YX6E7FY · P26YX6E7FY
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Phenethylbenzyl alcohol was used to prepare reagent required during the synthesis of non-symmetric cyclic sulfamide HIV-1 protease inhibitors.
General Description2-Phenethylbenzyl alcohol reacts with phosphorous tribromide to yield 2-phenethylbenzyl bromide.
Suppliers8 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
2 records
Compound notes
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