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537-42-8

Basic Information
CAS No.: 537-42-8
Name: Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-
Article Data: 56
Cas Database
Molecular Structure:
Molecular Structure of 537-42-8 (Phenol,4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-)
Formula: C16H16O3
Molecular Weight: 256.301
Synonyms: 4-Stilbenol,3',5'-dimethoxy-, (E)- (8CI);Phenol, 4-[2-(3,5-dimethoxyphenyl)ethenyl]-,(E)-;(E)-2-(3,5-Dimethoxyphenyl)-1-(4-hydroxyphenyl)ethene;(E)-4-Hydroxy-3',5'-dimethoxystilbene;3,5-Dimethoxy-4'-hydroxy-trans-stilbene;trans-3,5-Dimethoxy-4'-hydroxystilbene;
EINECS: 611-041-4
Density: 1.169 g/cm3
Melting Point: 89-92 °C
Boiling Point: 420.4 °C at 760 mmHg
Flash Point: 208.1 °C
Solubility: N/A
Appearance: off-white crystalline powder
Hazard Symbols: IrritantXi, DangerousN
Risk Codes: 41-51/53
Safety: 26-39-61
Transport Information: UN 3077
PSA: 38.69000
LogP: 3.57980
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Chemistry

IUPAC Name: 4-[(E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol
Synonyms of Pterostilbene (CAS NO.537-42-8): 3',5'-Dimethoxy-4-stilbenol ; 3,5-Dimethoxy-4'-hydroxy-trans-stilbene ; 4-(2-(3,5-Dimethoxyphenyl)ethenyl)phenol  ; 4-Stilbenol,3',5'-dimethoxy-, (E)- ; Phenol,4-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-
CAS NO: 537-42-8
Molecular Formula: C16H16O3
Molecular Weight: 256.30
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.639
Molar Refractivity: 78.88 cm3
Molar Volume: 219 cm3
Surface Tension: 45.9 dyne/cm
Density: 1.169 g/cm3
Flash Point: 208.1 °C
Enthalpy of Vaporization: 70.04 kJ/mol
Boiling Point: 420.4 °C at 760 mmHg
Vapour Pressure: 1.15E-07 mmHg at 25°C
Melting Point: 89-92°C
SMILES: O(c1cc(cc(OC)c1)\C=C\c2ccc(O)cc2)C
InChI: InChI=1/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKey: VLEUZFDZJKSGMX-ONEGZZNKBK
Std. InChI: InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
Std. InChIKey: VLEUZFDZJKSGMX-ONEGZZNKSA-N

Safety Profile

Hazard Codes: IrritantXi,DangerousN
Risk Statements: 41-51/53
R41: Risk of serious damage to the eyes. 
R51/53: Pterostilbene (CAS NO.537-42-8) is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-39-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S39: Wear eye / face protection. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 3077

Specification

 Pterostilbene (CAS NO.537-42-8) is a stilbenoid chemically related to resveratrol. It is the key compound found predominantly in blueberries (as well as grapes),which has anti-cancer, anti-hypercholesterolemia, anti-hypertriglyceridemia properties, as well as fight off and reverse cognitive decline. It is also has anti-diabetic effect, but so far ,this issue little has been studied on .Moreover it is also used as a potent anti-fungal.

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