3-Phenylpentan-3-ol
Basic information
- CAS
1565-71-5- Standard SMILES
CCC(O)(CC)c1ccccc1- InChIKey
XXCPOPNECJIJIH-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 3-Phenylpentan-3-ol
- IUPAC
- 3-phenylpentan-3-ol
- English name
- 3-Phenyl-3-pentanol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
3-phenylpentan-3-ol1565-71-5DTXSID10935470RefChem:1068491DTXCID6013641003-Phenyl-3-pentanol3-phenyl-pentan-3-olMFCD00021830Benzenemethanol, .alpha.,.alpha.-diethyl-NSC42888Benzenemethanol, ?,?-diethyl-SCHEMBL1962020
Show more names
diethyl phenyl carbinolBenzenemethanol, α,α-diethyl-
SCHEMBL2964725SCHEMBL4307361SCHEMBL16241468SCHEMBL28814247NSC-42888NSC401895ZB1386Benzenemethanol, alpha,alpha-diethyl-
Database identifiers
- CAS
1565-71-5- PubChem CID
- 238511
- DTXSID
DTXSID10935470- EC Number
- 688-788-8
- Nikkaji
- J1.261.827A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 98 · 98-100℃/3mm
- Density
- 0 · 0,98 g/cm3
- refractive index
- 1.516 · 1.5160
- pka
- 14.49 · 14.49±0.29(Predicted)
- CAS DataBase Reference
- 1565 · 1565-71-5
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H302-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H302-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesIt finds its application in the synthesis and physical properties of some c12 and c13 phenylalkane and cyclohexylalkane hydrocarbons and in the dehydration of Alcohols in Dimethyl Sulfoxide1,2.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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