ChemicalBook--->CAS DataBase List--->644-35-9

644-35-9

644-35-9 Structure

644-35-9 Structure
IdentificationMore
[Name]

2-N-PROPYLPHENOL
[CAS]

644-35-9
[Synonyms]

2-N-PROPYLPHENOL
2-PROPYLHYDROXYBENZENE
2-PROPYLPHENOL
FEMA 3522
O-N-PROPYLPHENOL
1-Hydroxy-2-n-propylbenzene
2-propyl-pheno
o-propyl-pheno
o-Propylphenol
Phenol, o-propyl-
Phenol,2-propyl-
Phenol,o-propyl-
2-PROPYLPHENOL 97+%
2-n-Propylphenol,97%
ORTHO-PROPYLPHENOL
o-propyl-phen
[EINECS(EC#)]

211-415-3
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00002251
[Molecular Weight]

136.19
[MOL File]

644-35-9.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR ORANGE TO SLIGHTLY PURPLE LIQUID
[Melting point ]

7°C
[Boiling point ]

224-226 °C (lit.)
[density ]

0.989 g/mL at 25 °C(lit.)
[FEMA ]

3522
[refractive index ]

n20/D 1.527(lit.)
[Fp ]

200 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

clear liquid
[pka]

pK1:10.5 (25°C)
[color ]

Colorless to Light yellow
[Odor]

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

synthetic
[Odor Type]

phenolic
[Water Solubility ]

1.664g/L(25 ºC)
[JECFA Number]

695
[BRN ]

1363932
[Major Application]

flavors and fragrances
[InChI]

1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
[InChIKey]

LCHYEKKJCUJAKN-UHFFFAOYSA-N
[SMILES]

CCCc1ccccc1O
[LogP]

3.01
[CAS DataBase Reference]

644-35-9(CAS DataBase Reference)
[EPA Substance Registry System]

o-Propylphenol (644-35-9)
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 ]

SM8600000
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29071190
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Poison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also p- PROPYLPHENOL.
Hazard InformationBack Directory
[Chemical Properties]

CLEAR ORANGE TO SLIGHTLY PURPLE LIQUID
[Chemical Properties]

o-Propylphenol has a phenolic odor.
[Occurrence]

Reported found in coffee.
[Uses]

2-Propylphenol can be used as:
  • A ligand to prepare iridium complex for the study of equilibria between iridium hydride alkylidene structures and their corresponding hydride olefin isomers.
  • A model compound in the study of Pt/C-catalyzed H-D exchange reactions of aromatic compounds using D2O.

[Definition]

ChEBI: 2-propylphenol is a member of the class of phenols that is phenol which is substituted by a propyl group at position 2. It has a role as a flavouring agent and a plant metabolite.
Spectrum DetailBack Directory
[Spectrum Detail]

2-N-PROPYLPHENOL(644-35-9)MS
2-N-PROPYLPHENOL(644-35-9)1HNMR
2-N-PROPYLPHENOL(644-35-9)13CNMR
2-N-PROPYLPHENOL(644-35-9)IR1
2-N-PROPYLPHENOL(644-35-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-n-Propylphenol, 98%(644-35-9)
[Alfa Aesar]

2-n-Propylphenol, 97%(644-35-9)
[Sigma Aldrich]

644-35-9(sigmaaldrich)
[TCI AMERICA]

2-Propylphenol,>98.0%(GC)(644-35-9)
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