1-Phenyl-2-butanol
Basic information
- CAS
701-70-2- Standard SMILES
CCC(O)Cc1ccccc1- InChIKey
LYUPJHVGLFETDG-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 1-Phenyl-2-butanol
- IUPAC
- 1-phenylbutan-2-ol
- English name
- 1-Phenyl-2-butanol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
1-Phenyl-2-butanol701-70-2Benzeneethanol, .alpha.-ethyl-alpha-Ethylphenethyl alcoholBenzeneethanol, alpha-ethyl-NSC 11004EINECS 211-858-2.alpha.-EthylbenzeneethanolNSC 406921.alpha.-Ethylphenethyl alcoholAI3-11510DTXSID80862380
Show more names
AURORA KA-6967Benzene-3-butanolα-Ethylbenzeneethanolα-ethylphenethyl alcoholBenzeneethanol, α-ethyl-
alpha-EthylbenzeneethanolRefChem:76941DTXCID20811155LYUPJHVGLFETDG-UHFFFAOYSA-N1-Phenylbutan-2-olBenzyl ethyl carbinol2-Butanol, 1-phenyl-Phenethyl alcohol, .alpha.-ethyl-
Database identifiers
- CAS
701-70-2- PubChem CID
- 92833
- DTXSID
DTXSID80862380- UNII
- 64NV7Q9G7L
- EC Number
- 211-858-2
- Nikkaji
- J193.066D
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
- 11
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Boiling point
- 124 · 124-127 °C25 mm Hg(lit.)
- Density
- 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.516(lit.)
- Flash point
- 212 °F · 212 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.24 · 15.24±0.20(Predicted)
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- Odor
- 100 % · at 100.00 %. mild hyacinth
- Odor Type
- floral
- InChI
- 1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
- InChIKey
- LYUPJHVGLFETDG-UHFFFAOYSA-N
- SMILES
- CCC(O)Cc1ccccc1
- LogP
- 2.367 · 2.367 (est)
- FDA UNII
- 64 NV7Q9G7L · 64NV7Q9G7L
- EPA Substance Registry System
- Benzeneethanol, .alpha.-ethyl- (701-70-2)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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
Regulatory InformationBenzeneethanol, .alpha.-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, .alpha.-ethyl-: INACTIVE
Applications
Usesα-Ethylphenethyl alcohol may be used in chemical synthesis.
Uses1-PHENYL-2-BUTANOL may be used in chemical synthesis.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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