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
Canonical 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.
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
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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