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3-(4-Hydroxyphenyl)-1-propane
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Name

3-(4-Hydroxyphenyl)-1-propane

 EINECS N/A
CAS No. 3690-05-9 Density 1.188g/cm3
PSA 40.46000 LogP 1.39770
Solubility N/A Melting Point 124 °C
Formula C9H10O2 Boiling Point 323.5°Cat760mmHg
Molecular Weight 150.177 Flash Point 162.7°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3690-05-9 (p-Coumaryl alcohol) Hazard Symbols N/A
Synonyms

2-Propen-1-ol,3-(p-hydroxyphenyl)- (6CI,7CI,8CI);Phenol, 4-(3-hydroxy-1-propenyl)- (9CI);3-(p-Hydroxyphenyl)-2-propen-1-ol;4-Hydroxycinnamic alcohol;4-Hydroxycinnamylalcohol;p-Coumaric alcohol;p-Coumaryl alcohol;p-Cumaric alcohol;p-Hydroxycinnamic alcohol;p-Hydroxycinnamyl alcohol;Phenol,4-(3-hydroxy-1-propen-1-yl)-;

Article Data 12

3-(4-Hydroxyphenyl)-1-propane Synthetic route

3943-97-3

methyl 4-hydroxycinnamate

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 6h;96%
1202495-53-1

1-hydroxy-3-(4-acetoxyphenyl)-2-propen

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With β‐cyclodextrin In water; acetone at 60℃; for 6h; Green chemistry;95%

C14H18O3

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With β‐cyclodextrin In water; acetone at 60℃; for 6h; Green chemistry;93%
3943-97-3, 19367-38-5, 61240-27-5

methyl p-hydroxycinnamate

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With aluminum (III) chloride; lithium aluminium tetrahydride In diethyl ether at 0℃; for 1.5h;90%
With aluminum (III) chloride; lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 0.5h; Inert atmosphere;62%

C11H14O3

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With β‐cyclodextrin In water; acetone at 60℃; for 6h; Green chemistry;87%

4-hydroxybenzenediazonium tetrafluoroborate

107-18-6

allyl alcohol

A

3690-05-9

4-hydroxycinnamic alcohol

B

20238-83-9

dihydro-p-coumaryl aldehyde

Conditions
ConditionsYield
With sodium acetate; palladium diacetate In methanol at 0℃; for 6h; Heck Reaction;A 72%
B 11%

C16H16O4S

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With β‐cyclodextrin In water; acetone at 60℃; for 5h; Green chemistry;59%
7361-92-4, 7362-39-2, 2979-06-8

ethyl 3-(4-hydroxyphenyl)prop-2-enoate

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 18h; Reduction;
With diisobutylaluminium hydride In toluene at -78 - 25℃; for 3.75h; Inert atmosphere;
20711-53-9, 88264-59-9, 2538-87-6

p-hydroxy-cinnamaldehyde

3690-05-9

4-hydroxycinnamic alcohol

Conditions
ConditionsYield
With β-nicotinamide adenine dinucleotide 2’-phosphate reduced tetrasodium salt; Arabidopsis thaliana cinnamyl alcohol dehydrogenase 5 at 30℃; Kinetics; Enzymatic reaction;
Stage #1: p-hydroxy-cinnamaldehyde With 1,4-dithio-L-threitol; NADPH at 30℃; for 0.5h; Enzymatic reaction;
Stage #2: With acetic acid In methanol pH=7.5; Kinetics;
103-90-2

4-acetaminophenol

A

3690-05-9

4-hydroxycinnamic alcohol

B

20238-83-9

dihydro-p-coumaryl aldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: tetrafluoroboric acid / isopropyl alcohol / 3 h / 90 °C
1.2: 0 °C
2.1: sodium acetate; palladium diacetate / methanol / 6 h / 0 °C
View Scheme

3-(4-Hydroxyphenyl)-1-propane Chemical Properties

Molecular Structure of 3-(4-Hydroxyphenyl)-1-propane (CAS NO.3690-05-9):

IUPAC Name: 4-[(E)-3-Hydroxyprop-1-enyl]phenol
Canonical SMILES: C1=CC(=CC=C1C=CCO)O
Isomeric SMILES: C1=CC(=CC=C1/C=C/CO)O
InChI: InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChIKey: PTNLHDGQWUGONS-OWOJBTEDSA-N
Molecular Weight: 150.1745 [g/mol]
Molecular Formula: C9H10O2
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 2 
Index of Refraction: 1.64
Molar Refractivity: 45.55 cm3
Molar Volume: 126.3 cm3
Surface Tension: 53.6 dyne/cm
Density: 1.188 g/cm3
Flash Point: 162.7 °C
Enthalpy of Vaporization: 59.69 kJ/mol
Boiling Point: 323.5 °C at 760 mmHg
Vapour Pressure: 0.000107 mmHg at 25 °C

3-(4-Hydroxyphenyl)-1-propane Specification

  3-(4-Hydroxyphenyl)-1-propane (CAS NO.3690-05-9), its Synonyms are Phenol, 4-(3-hydroxy-1-propenyl)- ; 2-Propen-1-ol,3-(p-hydroxyphenyl)- (6CI,7CI,8CI) ; Phenol, 4-(3-hydroxy-1-propenyl)- (9CI) ; 3-(p-Hydroxyphenyl)-2-propen-1-ol ; 4-Hydroxycinnamic alcohol ; p-Coumaric alcohol; p-Coumaryl alcohol ; p-Hydroxycinnamic alcohol ; p-Hydroxycinnamyl alcohol .

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