4-Isopropenylphenol - CAS 4286-23-1

Technical Data

IUPAC Name:	4-prop-1-en-2-ylphenol
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.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
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 ℃ at 760 mmHg
Melting Point:	85 ℃
Flash Point:	97.7±8.4℃
Purity:	98 %
Density:	1.003 g/cm³
Appearance:	White to off-white solid
Storage:	Amber Vial, -86 ℃ Freezer, Under inert atmosphere

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]; H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]
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

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3