ChemicalBook--->CAS DataBase List--->645-56-7

645-56-7

645-56-7 Structure

645-56-7 Structure
IdentificationMore
[Name]

4-Propylphenol
[CAS]

645-56-7
[Synonyms]

4-N-PROPYLHYDROXYBENZENE
4-N-PROPYLPHENOL
4-PROPYLPHENOL
FEMA 3649
P-PROPYLPHENOL
1-Hydroxy-4-n-propylbenzene
4-propyl-pheno
Dihydrochavicol
Phenol, p-propyl-
Phenol,4-propyl-
Phenol,p-propyl-
p-Hydroxy-n-propylbenzene
p-Hydroxypropylbenzene
p-n-Propylphenol
p-propyl-pheno
P-n-protyl phenol
4-PROPYLPHENOL 97+%
4-Propylphenol,3PoC9H12O
4-n-Propylphenol,98%
PARA-PROPYLPHENOL
[EINECS(EC#)]

211-446-2
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00002395
[Molecular Weight]

136.19
[MOL File]

645-56-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[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.)
[Fp ]

232 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[pka]

9.99±0.13(Predicted)
[color ]

Clear yellow
[Specific Gravity]

0.99
[Odor]

at 0.10 % in propylene glycol. medicinal phenolic
[biological source]

synthetic
[Odor Type]

phenolic
[Water Solubility ]

1.427g/L(25 ºC)
[Usage]

Intermediates of Liquid Crystals
[JECFA Number]

696
[BRN ]

1363429
[InChI]

1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
[InChIKey]

KLSLBUSXWBJMEC-UHFFFAOYSA-N
[SMILES]

CCCc1ccc(O)cc1
[LogP]

3.01
[CAS DataBase Reference]

645-56-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 4-propyl-(645-56-7)
[EPA Substance Registry System]

645-56-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3145 8/PG 3
[WGK Germany ]

3
[RTECS ]

SM8610000
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29071990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-propylcatechol-->Homovanillyl alcohol-->4-Ethyl-2-methoxyphenol-->2-Methoxy-4-methylphenol-->4-Methylcatechol-->Dihydroeugenol-->Guaiacol-->Catechol-->2,6-dipropylphenol-->Cyclohexene, 4-propyl-
[Preparation Products]

Ciprofibrate-->Propylcyclohexane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Propylphenol(645-56-7).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Occurrence]

Reported found in rum, malt whiskey and malt.
[Uses]

Intermediates of Liquid Crystals
[Application]

4-Propylphenol can be used as pharmaceutical intermediates and organic synthesis intermediates, mainly for laboratory research and development processes.
[Definition]

ChEBI:4-Propylphenol is an alkylbenzene.
[Aroma threshold values]

Detection: 500 ppb
[Synthesis Reference(s)]

Tetrahedron Letters, 19, p. 2545, 1978 DOI: 10.1016/S0040-4039(01)94822-1
Spectrum DetailBack Directory
[Spectrum Detail]

4-Propylphenol(645-56-7)MS
4-Propylphenol(645-56-7)1HNMR
4-Propylphenol(645-56-7)13CNMR
4-Propylphenol(645-56-7)IR1
4-Propylphenol(645-56-7)IR2
4-Propylphenol(645-56-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-n-Propylphenol, 98%(645-56-7)
[Sigma Aldrich]

645-56-7(sigmaaldrich)
[TCI AMERICA]

4-Propylphenol,>99.0%(GC)(645-56-7)
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