1-Phenyl-1,2-ethanediol

CAS No. 93-56-1

Formula: C8H10O2
Basic Info

A metabolite of Styrene in mammals.

Formula
C8H10O2
Molecular Weight
138.164
Exact Mass
138.068
LogP
0.7123
PSA
40.46
Synonyms

styren glycol

STYRENE GLYCOL

1,2-dihydroxyethylbenzene

(+/-)-1-PHENYL-1,2-ETHANEDIOL

PHENYL-1 2-ETHANEDIOL

1,2-Ethanediol, 1-phenyl-

1-Pheny-1,2-Ethanediol

Styryl alcohol

Fenylglycol

1-PHENYL-1,2-ETHANEDIOL FOR SYNTHESIS

Styrolyl alcohol

Phenylethanediol

1-phenylethane-1,2-diol

.alpha.,.beta.-Dihydroxyethylbenzene

rac Styrene Glycol

Phenylethylene Glycol

'STYROLGLYKOL'

1-PHENYL-1 2-ETHANEDIOL

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Properties
Appearance & Physical State
White to light beige crystalline powder or flakes
Density
1.17 g/cm3
Boiling Point
272-274ºC
Melting Point
61-67ºC
Flash Point
145.7ºC
Storage Condition
Store in a cool, dry place. Store in a tightly closed container.
Safety Info
Safety Statements
S24/25
HS Code
29062900
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1372.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min
Reference
Adedeji, J.Hartman, T.G.Rosen, R.T.Ho, C.-T.Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)J. Agric. Food Chem.1991, 39, 8, 1494-1497.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
1308.1
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Reference
Andriamaharavo, N.R.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2014.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1384.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/1.0 μm, He, 3. K/min, 250. C @ 30. min; T<sub>start</sub>: 40. C
Reference
Peppard, T.L.Volatile flavor constituents of Monstera deliciosaJ. Agric. Food Chem.1992, 40, 2, 257-262.
Normal alkane RI, polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-Innowax
Retention index
1735.
Temperature Control
Method
custom temperature program
Comments
60. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (4 min) -&gt; 40 0C <sup> </sup>4 0C/min -&gt; 220 0C
Reference
Quijano, C.E.Pino, J.A.Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruitRevista CENIC Ciencias Quimicas2006, 37, 3, 133-136.

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