Vanillylidenacetone - CAS 1080-12-2

Catalog:	BB002156
Product Name:	Vanillylidenacetone
CAS:	1080-12-2
Synonyms:	(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
Description:	Vanillylidenacetone (CAS# 1080-12-2) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CC(=O)C=CC1=CC(=C(C=C1)O)OC
InChI:	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChI Key:	AFWKBSMFXWNGRE-ONEGZZNKSA-N
Boiling Point:	348.2 °C at 760 mmHg
Purity:	98.0%
Density:	1.154 g/cm³
Appearance:	Yellow crystalline solid
MDL:	MFCD00012210
LogP:	2.00300

Publication Number	Title	Priority Date
CN-113368001-A	Application of preservative, preservative composition and application thereof	20210702
CN-113304129-A	Application of mono-ketene monocarbonyl curcumin analogue in preparing antioxidant drugs	20210616
RU-2731999-C1	Bis-ammonium compounds based on pyridoxine, having antibacterial and antimycotic properties	20200429
WO-2021168343-A2	Hypoallergenic recombinant milk proteins and compositions comprising the same	20200219
CN-113383085-A	Method and system for analyzing nucleic acid molecules	20191106

PMID	Publication Date	Title	Journal
22596078	20120701	Radioprotective effects of Zingiber officinale Roscoe (ginger): past, present and future	Food & function
22239556	20120301	Effects of curcumin and related compounds on processes involving α-hydroxyethyl radicals	Free radical research
22222040	20120115	Synthesis of substituted benzimidazolyl curcumin mimics and their anticancer activity	Bioorganic & medicinal chemistry letters
21567208	20110901	Effect of dehydrozingerone, a half analog of curcumin on dexamethasone-delayed wound healing in albino rats	Molecular and cellular biochemistry
21802408	20110819	Characterization of raspberry ketone/zingerone synthase, catalyzing the alpha, beta-hydrogenation of phenylbutenones in raspberry fruits	Biochemical and biophysical research communications

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7