ChemicalBook--->CAS DataBase List--->618-45-1

618-45-1

618-45-1 Structure

618-45-1 Structure
IdentificationMore
[Name]

3-ISOPROPYLPHENOL
[CAS]

618-45-1
[Synonyms]

3-HYDROXYCUMENE
3-HYDROXYCUMOL
3-ISOPROPYLPHENOL
M-CUMENOL
m-Hydroxycumene
M-ISOPROPYLPHENOL
3-(1-methylethyl)-pheno
3-(1-Methylethyl)phenol
3-(1-methylethyl)-Phenol
3-isopropylhydroxybenzene
Isopropylphenol, meta
m-isopropyl-pheno
Phenol, m-isopropyl-
Phenol,3-(1-methylethyl)-
Phenol,m-isopropyl-
3-ISOPROPYLPHENOL 97+%
3-ISOPROPYLPHENOL 98%
META-ISOPROPYLPHENOL
3-ISOPROPYLPHENOL 98+%
[EINECS(EC#)]

210-551-0
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00002301
[Molecular Weight]

136.19
[MOL File]

618-45-1.mol
Chemical PropertiesBack Directory
[Melting point ]

25 °C(lit.)
[Boiling point ]

228 °C(lit.)
[density ]

0.994 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.526(lit.)
[Fp ]

220 °F
[storage temp. ]

-20°C
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly)
[form ]

liquid
[pka]

10.03±0.10(Predicted)
[color ]

white to brown
[Stability:]

Light Sensitive
[InChI]

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

VLJSLTNSFSOYQR-UHFFFAOYSA-N
[SMILES]

C1(O)=CC=CC(C(C)C)=C1
[LogP]

2.851 (est)
[CAS DataBase Reference]

618-45-1(CAS DataBase Reference)
[EPA Substance Registry System]

m-Isopropylphenol (618-45-1)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H314
[Precautionary statements ]

P280-P305+P351+P338-P310
[Hazard Codes ]

C,Xn
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
[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) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 2430 8/PG 2
[WGK Germany ]

3
[RTECS ]

SL5800000
[TSCA ]

TSCA listed
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2907199090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide-->1,3-DIISOPROPYLBENZENE
[Preparation Products]

5-isopropyl-2-nitrophenol-->2-(3-ISOPROPYLPHENOXY)ANILINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-isopropylphenol(618-45-1).msds
Hazard InformationBack Directory
[Chemical Properties]

It is liquid at room temperature. Melting point 26°C, boiling point 228°C, refractive index 1.5261, flash point 97°C. Soluble in ether, slightly soluble in water.
[Uses]

3-Isopropylphenol is an impurity of Propofol (P829750).
[General Description]

3-Isopropylphenol (3IPP), also known as m-isopropylphenol, is an alkylphenol. Its toxic impact on aquatic life has been assessed. The gasification of 3-IPP with the help of supported noble metal catalysts in supercritical water at different values of water density has been investigated. Its molar enthalpy of vaporization has been evaluated.
Spectrum DetailBack Directory
[Spectrum Detail]

3-ISOPROPYLPHENOL(618-45-1)MS
3-ISOPROPYLPHENOL(618-45-1)13CNMR
3-ISOPROPYLPHENOL(618-45-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

618-45-1(sigmaaldrich)
[TCI AMERICA]

3-Isopropylphenol,>98.0%(GC)(618-45-1)
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