Hydrocinnamaldehyde - CAS 104-53-0

Catalog:	BB001409
Product Name:	Hydrocinnamaldehyde
CAS:	104-53-0
Synonyms:	3-phenylpropanal

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-phenylpropanal
Description:	Hydrocinnamaldehyde (CAS# 104-53-0) is a useful research chemical.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	C1=CC=C(C=C1)CCC=O
InChI:	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChI Key:	YGCZTXZTJXYWCO-UHFFFAOYSA-N
Boiling Point:	224-226 °C
Melting Point:	-42 °C
Flash Point:	95°C
Purity:	95 %
Density:	1.01 g/cm³
Appearance:	Clear colorless clear liquid
Storage:	2-8 °C
MDL:	MFCD00007021
LogP:	1.81810
Refractive Index:	1.52-1.525
Stability:	Stable at room temperature in closed containers under normal storage and handling conditions.

Publication Number	Title	Priority Date
CN-113501751-A	Method for preparing high-purity cinnamaldehyde by efficiently rectifying and purifying cinnamon oil	20210818
CN-113416138-A	Henry type reaction method of iron mediated aldehyde and bromonitromethane and product	20210721
CN-113321625-A	Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound	20210606
CN-113210008-A	Preparation method of Pt supported molecular sieve catalyst for cinnamaldehyde hydrogenation reaction	20210513
CN-113248418-A	3-alkynyl-2, 4-diester-based pyrrole compound and preparation method thereof	20210511

PMID	Publication Date	Title	Journal
22545169	20120101	Pathogen-specific epitopes as epidemiological tools for defining the magnitude of Mycobacterium leprae transmission in areas endemic for leprosy	PLoS neglected tropical diseases
21394803	20111001	In vivo cytokine modulatory effects of cinnamaldehyde, the major constituent of leaf essential oil from Cinnamomum osmophloeum Kaneh	Phytotherapy research : PTR
21264392	20110307	Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A3-reaction of aldehydes, amines and alkynes	Dalton transactions (Cambridge, England : 2003)
21485375	20110301	Contact and fumigant toxicity of cinnamaldehyde and cinnamic acid and related compounds to Dermatophagoides farinae and Dermatophagoides pteronyssinus (Acari: Pyroglyphidae)	Journal of medical entomology
21249192	20110113	Structure-activity relationship of cinnamaldehyde analogs as inhibitors of AI-2 based quorum sensing and their effect on virulence of Vibrio spp	PloS one

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3