Cinnamyl acetate - CAS 103-54-8

Catalog:	BB001175
Product Name:	Cinnamyl acetate
CAS:	103-54-8
Synonyms:	2-Propen-1-ol, 3-phenyl-, 1-acetate; 2-Propen-1-ol, 3-phenyl-, acetate; Cinnamyl alcohol, acetate; 1-Acetoxy-3-phenyl-2-propene; 3-Phenyl-2-propen-1-ol acetate; 3-Phenyl-2-propen-1-yl acetate; 3-Phenyl-2-propenyl acetate; 3-Phenylallyl acetate; Acetic acid 3-phenyl-2-propenyl ester; Acetic acid cinnamyl ester; NSC 46109; γ-Phenylallyl acetate

Technical Data

Related CAS:	21040-45-9 (E-isomer)
IUPAC Name:	3-phenylprop-2-enyl acetate
Description:	Cinnamyl acetate (CAS# 103-54-8) is used in preparation and characterization of cinnamon essential oil nanocapsules and comparison of volatile components and antibacterial ability of cinnamon essential oil before and after encapsulation.
Molecular Weight:	176.21
Molecular Formula:	C11H12O2
Canonical SMILES:	CC(=O)OCC=CC1=CC=CC=C1
InChI:	InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChI Key:	WJSDHUCWMSHDCR-UHFFFAOYSA-N
Boiling Point:	142-144°C at 12 Torr
Melting Point:	30°C
Flash Point:	118°C
Purity:	95%
Density:	1.055±0.06 g/cm3
Solubility:	Soluble in Alcohol
Appearance:	Colorless to yellow clear liquid
Storage:	Store at 2-8°C
MDL:	MFCD00008722
LogP:	2.26290
Refractive Index:	1.54-1.543
Stability:	Stable under normal temperatures and pressures.

Publication Number	Title	Priority Date
WO-2021122684-A1	Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals	20191220
WO-2021123811-A1	Bio-based production of toxic chemicals	20191220
EP-3838882-A1	2,4-diethylocta-2,6-dienal and its use as aroma chemical	20191218
WO-2021122674-A1	2,4-diethylocta-2,6-dienal and its use as aroma chemical	20191218
WO-2021126569-A1	Taste modifying compositions and uses thereof	20191218

PMID	Publication Date	Title	Journal
21707253	20111201	Terpenoid composition and antifungal activity of three commercially important essential oils against Aspergillus flavus and Aspergillus niger	Natural product research
21929331	20110701	Chemistry, biogenesis, and biological activities of Cinnamomum zeylanicum	Critical reviews in food science and nutrition
21417409	20110511	Characterization of odor-active compounds in guava wine	Journal of agricultural and food chemistry
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
20828600	20101101	Composition, antimicrobial activity and in vitro cytotoxicity of essential oil from Cinnamomum zeylanicum Blume (Lauraceae)	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	176.083729621
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3