2-Isopropoxyphenol

HCID 20949
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Basic information

CAS
28801-34-5
Standard SMILES
CC(C)Oc1ccccc1O
InChIKey
ZNCUUYCDKVNVJH-UHFFFAOYSA-N
Molecular formula
C9H12O2
Average molar mass
152.19 g/mol
Monoisotopic mass
152.08372962

Overview

2-isopropoxyphenol is a member of phenols and an aromatic ether.

Names & identifiers

Preferred name
2-Isopropoxyphenol
IUPAC
2-propan-2-yloxyphenol
English name
2-Isopropoxyphenol
Molecular formula
C9H12O2
Molecular weight
152.19

Names & synonyms

2-Isopropoxyphenol4812-20-8O-ISOPROPOXYPHENOL2-(propan-2-yloxy)phenolPhenol, 2-(1-methylethoxy)-2-(1-Methylethoxy)phenolDTXSID5041431X51P4UE6X7DTXCID3021431CHEBI:38547RefChem:473869225-379-1
Show more names
propoxurphenol2-IsopropoxyphThymol Impurity?382-Isopropoxyphenol-d72-Isopropoxyphenol,97%2-ISOPROPOXYPHENOL 97%
2-propan-2-yloxyphenol2-isopropyloxyphenolPhenol, 2-isopropoxyCatechol monoisopropyl etherMFCD000021841-Hydroxy-2-isopropoxybenzene2-(1-Methylethoxy)-Phenol2-IPP

Database identifiers

CAS
28801-34-5、4812-20-8
PubChem CID
20949
DTXSID
DTXSID5041431
ChEMBL
CHEMBL3182286
ChEBI
CHEBI:38547
UNII
X51P4UE6X7
EC Number
225-379-1
Nikkaji
J236.627D

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

LogP · 2 items

2.09

2.09

Boiling Point100 - 102 °C
Physical DescriptionSolid

Physicochemical properties

Boiling point
100 · 100-102 °C/11 mmHg (lit.)
Density
1.03 g/mL · 1.03 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.514(lit.)
Flash point
190 °F · 190 °F
storage temp.
Inert atmosphere,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 2-(1-methylethoxy)-

Hazard Traits - Hazard Trait Undefined

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29095090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

General Manufacturing InformationPhenol, 2-(1-methylethoxy)-: ACTIVE
Applications · 3 items

Description2-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).

Uses2-Isopropoxyphenol was used as a target chemical in developing a method to measure the urinary phenolic metabolites of pesticides.

General Description2-Isopropoxyphenol is a metabolite of propoxur.

Upstream & downstream products

Suppliers99 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Additional notes

DefinitionChEBI: 2-isopropoxyphenol is a member of phenols and an aromatic ether.

Related reactions

16 records
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Compound notes

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