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645-56-7

Basic Information
CAS No.: 645-56-7
Name: 4-Propylphenol
Article Data: 67
Molecular Structure:
Molecular Structure of 645-56-7 (4-Propylphenol)
Formula: C9H12O
Molecular Weight: 136.194
Synonyms: Phenol, p-propyl-(6CI,8CI);4-n-Propylphenol;Dihydrochavicol;NSC 65647;p-Hydroxy-n-propylbenzene;p-Hydroxypropylbenzene;p-Propylphenol;p-n-Propylphenol;
EINECS: 211-446-2
Density: 0.992 g/cm3
Melting Point: 22 °C
Boiling Point: 232.6 °C at 760 mmHg
Flash Point: 106.1 °C
Solubility: 1.427g/L(25 oC)
Appearance: clear yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-28-36/37/39-45-36
Transport Information: UN 3145 8/PG 3
PSA: 20.23000
LogP: 2.34470
Synthetic route
70-70-2

4-hydroxypropiophenone

645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
palladium on activated charcoal In ethanol at 34℃; under 37503 Torr; for 0.833333h;90%
With palladium on activated charcoal; ethanol Hydrogenation;
With methanol; copper oxide-chromium oxide at 115 - 125℃; under 161812 - 176522 Torr; Hydrogenation;
2785-87-7

2-methoxy-4-n-propylphenol

645-56-7

4-n-Propylphenol

Conditions
ConditionsYield
With hydrogen; benzene at 350℃; under 67506.8 Torr; Reagent/catalyst; Pressure; Flow reactor;90%
With platinum on activated charcoal; hydrogen at 400℃; Reagent/catalyst;
With hydrogen In benzene at 350℃; under 67506.8 Torr; Reagent/catalyst;
With ruthenium-carbon composite; hydrogen In water at 250℃; for 2h; Catalytic behavior; Reagent/catalyst; Autoclave;
97-53-0

4-allylguaiacol

A

645-56-7

4-n-Propylphenol

B

2785-87-7

2-methoxy-4-n-propylphenol

C

52204-65-6

4-n-propylcyclohexanol

Conditions
ConditionsYield
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Autoclave;A 88.3%
B 5.8%
C 5.4%
With phosphoric acid; hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 8.7%
B 83.6%
C 7.7%
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 15.6%
B 38.8%
C 45.5%
97-53-0

4-allylguaiacol

A

645-56-7

4-n-Propylphenol

B

2785-87-7

2-methoxy-4-n-propylphenol

Conditions
ConditionsYield
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 10.6%
B 80%
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Reagent/catalyst; Autoclave;A 19.9%
B 75.9%
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Autoclave;A 52.5%
B 41.5%
With Pt/Al2O3; hydrogen In Hexadecane at 249.84℃; under 22502.3 Torr; for 6h;A 2 %Chromat.
B 92 %Chromat.
With hydrogen In Hexadecane at 249.84℃; under 22502.3 Torr; for 1h; Reagent/catalyst; Autoclave;A 8 %Chromat.
B 80 %Chromat.
470665-13-5

(+/-)-1-(4-benzyloxyphenyl)prop-2-en-1-ol

A

645-56-7

4-n-Propylphenol

B

22805-42-1

4-hydroxy-α-ethylbenzylalcohol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol for 10h;A n/a
B 77%
2785-87-7

2-methoxy-4-n-propylphenol

A

645-56-7

4-n-Propylphenol

B

621-27-2

3-n-propylphenol

Conditions
ConditionsYield
With hydrogen In decane; Hexadecane at 300℃; under 15001.5 Torr; for 4h; Reagent/catalyst; Pressure; Autoclave;A 11.7%
B 59.5%
97-53-0

4-allylguaiacol

A

645-56-7

4-n-Propylphenol

B

52204-65-6

4-n-propylcyclohexanol

Conditions
ConditionsYield
With hydrogen In dodecane at 250℃; under 4500.45 Torr; for 8h; Autoclave;A 57.9%
B 22.7%
2785-87-7

2-methoxy-4-n-propylphenol

A

645-56-7

4-n-Propylphenol

B

103-65-1

Propylbenzene

C

18441-56-0

2-methyl-4-propylphenol

D

5888-52-8

4-propyl-1,2-dimethoxybenzene

Conditions
ConditionsYield
With hydrogen In toluene at 319.84℃; under 22502.3 Torr; for 2h; Reagent/catalyst;A 51%
B n/a
C n/a
D n/a
2785-87-7

2-methoxy-4-n-propylphenol

A

645-56-7

4-n-Propylphenol

B

103-65-1

Propylbenzene

Conditions
ConditionsYield
With hydrogen In benzene at 350℃; under 67506.8 Torr;A 45%
B 6%
97-53-0

4-allylguaiacol

A

645-56-7

4-n-Propylphenol

B

2785-87-7

2-methoxy-4-n-propylphenol

C

1678-92-8

propylcyclohexane

D

13487-64-4

4-propyl-cyclohexene

Conditions
ConditionsYield
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 1.5h;A 11.5%
B 30.1%
C 24.6%
D 24.9%
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Chemistry

4-Propylphenol(645-56-7) is also named as 1-Hydroxy-4-n-propylbenzene;p-Propylphenol;Dihydrochavicol;4-PROPYLPHENOL; 4-n-Propylphenol;Phenol, p-propyl-;Phenol, 4-propyl-;p-Hydroxypropylbenzene,and so on.4-Propylphenol(645-56-7) is commonly yellow liquid.

CAS: 645-56-7
Molecular Formula: C9H12O
Molecular Weight: 136.19
Molecular structure:
EINECS: 211-446-2
Melting point:  22°C
Boiling point:  232 °C(lit.)
Density:  0.983 g/mL at 25 °C(lit.)
FEMA:  3649
Refractive index:  n20/D 1.523(lit.)
Flash point:  232 °F
BRN:  1363429

Uses

4-Propylphenol(645-56-7) is mainly used as the intermediates of liquid crystals.

Toxicity Data With Reference

1.   

orl-rat LD50:500 mg/kg

   ETATAW    Eesti N.S.V. Teaduste Akadeemia Toimetised, Biologia. 24 (1975),281.
2.   

orl-mus LD50:348 mg/kg

   GISAAA    Gigiena i Sanitariya. 39 (7)(1974),94.
3.   

ipr-mus LD50:81 mg/kg

   JMCMAR    Journal of Medicinal Chemistry. 18 (1975),868.
4.   

orl-gpg LD50:678 mg/kg

   GISAAA    Gigiena i Sanitariya. 39 (7)(1974),94.
5.   

orl-mam LD50:540 mg/kg

   GISAAA    Gigiena i Sanitariya. 45 (10)(1980),16.
6.   

skn-mam LD50:2150 mg/kg

   GISAAA    Gigiena i Sanitariya. 45 (10)(1980),16.
 
RTECS:  SM8610000

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Codes:  Xn
Risk Statements:  20/21/22-36/37/38(20/21/22:  Harmful by inhalation, in contact with skin and if swallowed 36/37/38:  Irritating to eyes, respiratory system and skin)
Safety Statements:  26-28-36/37/39-45-36(26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice  28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 36:  Wear suitable protective clothing)
RIDADR:  UN 3145 8/PG 3
WGK Germany:  3
HazardClass:  8
PackingGroup:  III