Allyl phenyl ether

Product Information

Molecular Formula:
C9H10O
Molecular Weight:
134.18
Description
Allyl phenyl ether (CAS# 1746-13-0 ) is a useful research chemical.
Synonyms
(2-propenyloxy)-benzen; (prop-2-enyloxy)-benzene; 3-Phenoxypropene; Allyl phenoxylate; Ether, allyl phenyl; ether, allylphenyl; Phenyl 2-propenyl ether; Phenylpropenyl ether
IUPAC Name
prop-2-enoxybenzene
Canonical SMILES
C=CCOC1=CC=CC=C1
InChI
InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key
POSICDHOUBKJKP-UHFFFAOYSA-N
Boiling Point
192.4±9.0 °C at 760 mmHg
Flash Point
62 °C
Purity
> 95.0 % (GC)
Density
0.9±0.1 g/cm3
Appearance
Clear colorless to yellow liquid
Refractive Index
n20/D 1.522 (lit.)

Safety Information

Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
2.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
134.073164938 g/mol
Monoisotopic Mass
134.073164938 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
92.9
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
CN-113861683-A High-thermal-conductivity ultrahigh-temperature-resistant encapsulating insulating material and preparation method thereof 2021-11-01
CN-113773166-A Olefin isomerization method 2021-08-31
CN-113234243-A Preparation method of cellulose-based self-reinforced material 2021-05-08
CN-113024776-A Heat-sensitive epoxy curing agent, preparation method thereof and epoxy resin composition 2021-04-07
CN-112500524-A Anhydride group modified acrylate resin curing agent, preparation method and application 2020-12-28
CN-112500525-A Water-and oil-repellent anhydride group fluorine-containing acrylate resin, preparation method and application 2020-12-28
CN-112625553-A Latent self-curing resin coating composition and construction method thereof 2020-12-28
CN-112500524-B Anhydride group modified acrylate resin curing agent, preparation method and application 2020-12-28
CN-112625553-B Latent self-curing resin coating composition and construction method thereof 2020-12-28
CN-112299981-A Preparation method of alpha, alpha-difluoroketone derivative 2020-10-29

Literatures

PMID Publication Date Title Journal
22692395 2012-07-21 Photo-impulsive reactions in the electronic ground state without electronic excitation: non-photo, non-thermal chemical reactions Physical chemistry chemical physics : PCCP
22482800 2012-05-16 The phenoxyl radical-water complex--a matrix isolation and computational study Journal of the American Chemical Society
19950911 2010-01-01 Pd-catalyzed synthesis of allylic silanes from allylic ethers Organic letters
18712927 2008-09-19 Synthesis of unsymmetrical benzil licoagrodione The Journal of organic chemistry
18491853 2008-06-12 A theoretical study of pericyclic rearrangements catalyzed by lithium The journal of physical chemistry. A
14695556 2004-01-05 Zirconium-mediated coupling reactions of amines and enol or allyl ethers: synthesis of allyl- and homoallylamines Chemistry (Weinheim an der Bergstrasse, Germany)
14572255 2003-10-30 SmI2/water/amine mediates cleavage of allyl ether protected alcohols: application in carbohydrate synthesis and mechanistic considerations Organic letters
11599953 2001-10-22 Facile allylic C-H bond activation on the bridging disulfide ligand in the Ru(III) dinuclear complex having a conjugated RuSSRu core Inorganic chemistry
11463320 2001-07-26 LiCB(11)Me(12): a catalyst for pericyclic rearrangements 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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