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
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.
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.
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 |
