ChemicalBook--->CAS DataBase List--->4812-20-8

4812-20-8

4812-20-8 Structure

4812-20-8 Structure
IdentificationMore
[Name]

2-Isopropoxyphenol
[CAS]

4812-20-8
[Synonyms]

2-(1-methylethoxy)phenol
2-ISOPROPOXYPHENOL
o-Isopropoxyphenol
2-(1-methylethoxy)-pheno
Phenol, 2-(1-methylethoxy)-
Phenol, 2-isopropoxy
propoxurphenol
1-Hydroxy-2-isopropoxybenzene
Catecholmonoisopropylether
2-Isopropoxyphenol,97%
2-ISOPROPOXYPHENOL 97%
2-Propan-2-yloxyphenol
2-Isopropyloxyphenol
[EINECS(EC#)]

225-379-1
[Molecular Formula]

C9H12O2
[MDL Number]

MFCD00002184
[Molecular Weight]

152.19
[MOL File]

4812-20-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow to light red-brown liquid
[Boiling point ]

100-102 °C/11 mmHg (lit.)
[density ]

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

n20/D 1.514(lit.)
[Fp ]

190 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

9.99±0.35(Predicted)
[color ]

Clear light yellow to light red-brown
[Water Solubility ]

Soluble in water.
[BRN ]

1937063
[InChI]

1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
[InChIKey]

ZNCUUYCDKVNVJH-UHFFFAOYSA-N
[SMILES]

CC(C)Oc1ccccc1O
[CAS DataBase Reference]

4812-20-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Isopropoxyphenol(4812-20-8)
[EPA Substance Registry System]

4812-20-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29095000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium carbonate-->Catechol-->2-Bromopropane-->2-Chloropropane-->1,2-Diisopropyloxy benzene-->o-(1-methylethoxy)anisole-->2-iso-Propoxybenzaldehyde-->2,2-Dimethyl-1,3-benzodioxole-->2-Isopropoxybenzoic acid-->Salicylaldehyde-->Triethylsilane-->1,2-Dimethoxybenzene
[Preparation Products]

Propoxur-->Carbon dioxide-->4-broMo-2-isopropoxyphenol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(1-Methylethoxy)phenol(4812-20-8).msds
Hazard InformationBack Directory
[Description]

2-Isopropoxyphenol is prepared by monoetherification of catechol with isopropyl halides in the presence of alkali-metal salts and either a phase transfer catalyst or a polyhydroxyalkyl monoether in an autoclave. This compound is the starting material for the synthesis of the pesticide Propoxur (2-isopropoxyphenyl methylcarbamate).
[Chemical Properties]

clear light yellow to light red-brown liquid
[Uses]

2-Isopropoxyphenol was used as a target chemical in developing a method to measure the urinary phenolic metabolites of pesticides.
[Definition]

ChEBI: 2-isopropoxyphenol is a member of phenols and an aromatic ether.
[General Description]

2-Isopropoxyphenol is a metabolite of propoxur.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Isopropoxyphenol(4812-20-8)MS
2-Isopropoxyphenol(4812-20-8)1HNMR
2-Isopropoxyphenol(4812-20-8)13CNMR
2-Isopropoxyphenol(4812-20-8)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Isopropoxyphenol, 97%(4812-20-8)
[Alfa Aesar]

2-Isopropoxyphenol, 97%(4812-20-8)
[Sigma Aldrich]

4812-20-8(sigmaaldrich)
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