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
Canonical 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.
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].
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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