2-Allylphenol
Product Information
Molecular Formula
C9H10O
Molecular Weight
134.18
Description
2-Allylphenol has antifungal activity.
Synonyms
o-Allylphenol; 2-(prop-2-en-1-yl)phenol; 2-allyl-phenol
IUPAC Name
2-prop-2-enylphenol
SMILES
C=CCC1=CC=CC=C1O
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChI Key
QIRNGVVZBINFMX-UHFFFAOYSA-N
Boiling Point
220 °C
Melting Point
-6 °C
Flash Point
88 °C
Purity
95 %
Density
1.02 g/cm3
Appearance
Clear colourless to light yellow liquid
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.55
Stability
Stable under normal temperatures and pressures.
LogP
2.12070
Vapor Pressure
0.0783mmHg at 25°C
Safety Information
Hazards
H302+H312:
Harmful if swallowed.
Harmful in contact with skin.
H314:
Causes severe skin burns and eye damage.
Harmful if swallowed.
Harmful in contact with skin.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P391, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
2.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
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
109
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-114058143-A | Sealing element composition for fluorine gas pipeline on-line leakage test and preparation method thereof | 2021-12-22 |
| CN-114181246-A | Preparation method of liquid bisphenol A bis (diphenyl phosphate) flame retardant | 2021-12-20 |
| CN-113930212-A | Low dielectric loss flexible thermosetting adhesive and preparation method thereof | 2021-11-25 |
| CN-113861683-A | High-thermal-conductivity ultrahigh-temperature-resistant encapsulating insulating material and preparation method thereof | 2021-11-01 |
| CN-113845797-A | Erasable ink and method for preparing same | 2021-10-21 |
| CN-113832772-A | Thermosensitive synthetic label paper of preservative film plasticizer and preparation method thereof | 2021-10-19 |
| CN-113903408-A | Non-chemical method for predicting toxicity of aromatic hydrocarbon | 2021-10-14 |
| CN-113845626-A | Preparation method for synthesizing slump-retaining type polycarboxylate superplasticizer at normal temperature | 2021-10-12 |
| CN-113861553-A | High-flame-retardant polypropylene composite material for lithium battery shell | 2021-09-07 |
| CN-113736401-A | High-heat-resistance single-component adhesive and preparation method thereof | 2021-09-06 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21870877 | 2011-10-13 | Synthesis and characterization of high-affinity 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene-labeled fluorescent ligands for human β-adrenoceptors | Journal of medicinal chemistry |
| 19902208 | 2010-03-01 | Isolation of an unusual metabolite 2-allyloxyphenol from a marine actinobacterium, its biological activities and applications | Applied microbiology and biotechnology |
| 19685448 | 2009-12-01 | Inhibitory effect of bionic fungicide 2-allylphenol on Botrytis cinerea (Pers. ex Fr.) in vitro | Pest management science |
| 18491853 | 2008-06-12 | A theoretical study of pericyclic rearrangements catalyzed by lithium | The journal of physical chemistry. A |
| 18220360 | 2008-03-04 | Chloroperoxidase, a janus enzyme | Biochemistry |
| 17917295 | 2007-10-01 | Cinnamylindoline derivatives: synthesis and factor Xa (FXa) inhibitory activities | Chemical & pharmaceutical bulletin |
| 17274660 | 2007-03-02 | Mechanistic insights into the palladiumII-catalyzed hydroxyalkoxylation of 2-allylphenols | The Journal of organic chemistry |
| 17288601 | 2007-02-08 | Reaction of benzoxasilocines with aromatic aldehydes: Synthesis of homopterocarpans | Beilstein journal of organic chemistry |
| 16100618 | 2005-09-01 | Proton, electron and energy transfer processes in excited phenol-olefin dyads | Chemical Society reviews |
| 15999196 | 2005-07-21 | Spectroscopic and theoretical studies on intramolecular OH-pi hydrogen bonding in 4-substituted 2-allylphenols | Organic & biomolecular chemistry |
