4-Isopropenylphenol
Product Information
Molecular Formula
C9H10O
Molecular Weight
134.18
Description
Stability: Light Sensitive and Temperature SensitiveApplications: 4-Isopropenylphenol is an intermediate in the synthesis of 3,5-Dichlorobisphenol A , a monomer used for policarbonate and epoxy resins; exhibits estrogenic activity.
Synonyms
4-(1-Methylethenyl)-phenol
IUPAC Name
4-prop-1-en-2-ylphenol
SMILES
CC(=C)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3
InChI Key
JAGRUUPXPPLSRX-UHFFFAOYSA-N
Boiling Point
218 °C at 760 mmHg
Melting Point
85 °C
Flash Point
97.7±8.4°C
Purity
98 %
Density
1.003 g/cm3
Appearance
White to off-white solid
Storage
Amber Vial, -86 °C Freezer, Under inert atmosphere
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303:
IF ON SKIN (or hair):
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.
P353:
Rinse skin with water/shower.
P361:
Take off immediately all contaminated clothing. [As modified by IV ATP].
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303:
IF ON SKIN (or hair):
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.
P353:
Rinse skin with water/shower.
P361:
Take off immediately all contaminated clothing. [As modified by IV ATP].
Signal Word
Warning
Computed Properties
XLogP3
3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
134.073164938 g/mol
Monoisotopic Mass
134.073164938 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
121
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022031737-A | Photosensitive resin composition | 2021-11-16 |
| CN-113956395-A | Polymer resin and preparation method thereof, electron beam photoresist and preparation and use methods thereof | 2021-10-27 |
| CN-113480439-A | Preparation method of aminophenol containing isopropylidene alkane structure | 2021-07-21 |
| CN-113429363-A | Novel benzoxazine and synthetic method thereof | 2021-07-14 |
| CN-113387776-A | Method for preparing phenolic substances by photothermal pyrolysis of waste fan blades | 2021-06-01 |
| CN-113307725-A | Preparation method of 4, 6-bis [1- (4-hydroxyphenyl) -1-methylethyl ] -1, 3-benzenediol | 2021-05-19 |
| CN-113443969-A | Method for preparing 4- [1- (4-hydroxyphenyl) -1-methyl-ethyl ] pyrogallol by resin method | 2021-05-19 |
| CN-113620786-A | Method for synthesizing polyhydroxy phenolic compound by acid method | 2021-05-19 |
| CN-112980032-A | Transparent, robust self-cleaning organic glass and manufacturing method thereof | 2021-04-23 |
| CN-113105622-A | Modified polyphenyl ether, thermosetting polyphenyl ether composition and application thereof | 2021-04-19 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21402134 | 2011-05-30 | Ipso substitution of bisphenol A catalyzed by microsomal cytochrome P450 and enhancement of estrogenic activity | Toxicology letters |
| 21185583 | 2011-02-01 | Oxidative removal of bisphenol A using zero valent aluminum-acid system | Water research |
| 20837082 | 2010-12-01 | Application of fly ash adsorbed peroxidase for the removal of bisphenol A in batch process and continuous reactor: assessment of genotoxicity of its product | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 17822937 | 2008-04-01 | Ultrasonic cavitation applied to the treatment of bisphenol A. Effect of sonochemical parameters and analysis of BPA by-products | Ultrasonics sonochemistry |
| 17681362 | 2008-01-01 | The aqueous degradation of bisphenol A and steroid estrogens by ferrate | Water research |
| 17886831 | 2007-09-01 | ipso-substitution: a general biochemical and biodegradation mechanism to cleave alpha-quaternary alkylphenols and bisphenol A | Chemistry & biodiversity |
| 17387471 | 2007-07-01 | Anaerobic co-metabolic oxidation of 4-alkylphenols with medium-length or long alkyl chains by Thauera sp., strain R5 | Applied microbiology and biotechnology |
| 16233844 | 2005-06-01 | Biodegradation of phenolic environmental pollutants by a surfactant-laccase complex in organic media | Journal of bioscience and bioengineering |
| 15230595 | 2004-07-09 | Kinetics and mechanism of p-isopropenylphenol synthesis via hydrothermal cleavage of bisphenol A | The Journal of organic chemistry |
| 15228274 | 2004-07-08 | Generation and synthetic uses of stable 4-[2-isopropylidene]-phenol carbocation from bisphenol A | Organic letters |
