o-Eugenol - CAS 579-60-2

Catalog:	BB029883
Product Name:	o-Eugenol
CAS:	579-60-2
Synonyms:	2-methoxy-6-prop-2-enylphenol

Technical Data

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Computed Properties

IUPAC Name:	2-methoxy-6-prop-2-enylphenol
Description:	o-Eugenol (CAS# 579-60-2 ) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	COC1=CC=CC(=C1O)CC=C
InChI:	InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3
InChI Key:	LREHGXOCZVBABG-UHFFFAOYSA-N
Boiling Point:	251.5 °C at 760 mmHg
Density:	1.05 g/cm³
Solubility:	Slightly soluble in water; Soluble in ether, most fixed oils
Appearance:	Colourless to pale yellow liquid
MDL:	MFCD00192169
LogP:	2.12930

Publication Number	Title	Priority Date
CN-112940197-A	Viscosity-reducing and mud-resisting polymer for concrete and preparation method thereof	20210203
CN-112940651-A	Binder for resin composite material and preparation method thereof	20210203
FR-3108327-A1	Manufacturing process of para-eugenol and / or ortho-eugenol	20200323
WO-2021191113-A1	Process for producing para-eugenol and/or ortho-eugenol	20200323
WO-2021074047-A1	Process for the preparation of modified silica, modified silica and its uses	20191015

PMID	Publication Date	Title	Journal
27355133	20160901	Ortho-eugenol exhibits anti-nociceptive and anti-inflammatory activities	International immunopharmacology
20225858	20100428	Dialkoxybenzene and dialkoxyallylbenzene feeding and oviposition deterrents against the cabbage looper, Trichoplusia ni: potential insect behavior control agents	Journal of agricultural and food chemistry
11513704	20010801	Suppression of chemical mutagen-induced SOS response by alkylphenols from clove (Syzygium aromaticum) in the Salmonella typhimurium TA1535/pSK1002 umu test	Journal of agricultural and food chemistry

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Related Functional Groups

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[832740-55-3]
3-[(4-Chloro-2-methylphenoxy)methyl]-4-methoxybenzaldehyde
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

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GHS Hazard Statement:	H302 (69.84%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6