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4-Phenyl-2-butanol

4-Phenyl-2-butanol structure

CAS No:
2344-70-9
Formula:
C10H14O
Chemical Name:
4-Phenyl-2-butanol
Synonyms:
Benzenepropanol,α-methyl-;2-Butanol,4-phenyl-;α-Methylbenzenepropanol;4-Phenyl-2-butanol;1-Phenyl-3-butanol;1-Methyl-3-phenyl-1-propanol;2-Hydroxy-4-phenylbutane;(±)-4-Phenylbutan-2-ol;NSC 69076;(±)-3-Phenyl-1-methylpropanol;(3-Hydroxybutyl)benzene;14786-43-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS LIQUID 4-Phenyl-2-butanol has a herbaceous, aromatic, floral-fruity odor.

colourless oily liquid with a floral-fruity, herbaceous odour

4-Phenyl-2-butanol Basic Attributes

Molecular Weight：

150.21800

Exact Mass：

150.22

EC Number：

219-055-9

NSC Number：

69076

HScode：

29062900

Characteristics

PSA：

20.23000

XLogP3：

2.00000

Appearance：

colourless oily liquid with a floral-fruity, herbaceous odour

Density：

0.9899 g/cm³ @ Temp: 1 °C

Melting Point：

61 °C

Boiling Point：

239 °C

Flash Point：

231 °F

Refractive Index：

n20/D 1.5140(lit.)

Water Solubility：

insoluble in water; soluble in organic solvents, oils

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Vapor Pressure：

0.0147mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

S24/25

Drug Information

MeSH Entry Terms：

4-phenyl-2-butanol

4-Phenyl-2-butanol Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Normal alkane RI, non-polar column, temperature ramp	Capillary	DB-5	1241.		temperature ramp	30. m/0.25 mm/0.15 μm, 60. C @ 3. min, 3. K/min; T_end: 220. C	Mevy, J.P.Bessiere, J.M.Pelissier, Y.Masotti, V.Ruzzier, M.Rabier, J.Viano, J.Composition of the volatile constituents of the aerial parts of an endemic plant of Ivory Coast, Monanthotaxis capea (E.G. A. Camus) VerdcFlavour Fragr. J.2004, 19, 6, 526-528.
Normal alkane RI, non-polar column, temperature ramp	Capillary	DB-Wax	2029.		temperature ramp	60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min	Qian, M.C.Wang, Y.Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) BlackberriesJ. Food. Sci.2005, 70, 1, c13-c20.

Computed Properties

Molecular Weight:150.22
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:150.104465066
Monoisotopic Mass:150.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:95
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

Recommended Suppliers of 4-Phenyl-2-butanol

LEADER BIOCHEMICAL GROUP Contact Supplier

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China Largest Manufacturer Supply High Purity 4-Phenyl-2-butanol CAS 2344-70-9

CAS No.: 2344-70-9

Grade: Food Grade

Content: 99%

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