Cinnamyl alcohol - CAS 104-54-1

Catalog:	BB001412
Product Name:	Cinnamyl alcohol
CAS:	104-54-1
Synonyms:	(E)-3-phenylprop-2-en-1-ol
Application:	5-thiophen-2-yl-1H-indole (cas# 144104-54-1) is a useful research chemical.

Technical Data

IUPAC Name:	(E)-3-phenylprop-2-en-1-ol
Description:	Cinnamyl alcohol is an organic compound that is found in esterified form in storax, Balsam of Peru, and cinnamon leaves. It forms a white crystalline solid when pure, or a yellow oil when even slightly impure. It can be produced by the hydrolysis of storax. It is used in perfumery and as a deodorant. It was also used to study gold nanoparticles supported on titanium dioxide catalysed oxidative coupling of alcohols and amines to form the corresponding imines.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	C1=CC=C(C=C1)C=CCO
InChI:	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChI Key:	OOCCDEMITAIZTP-QPJJXVBHSA-N
Boiling Point:	258 °C
Melting Point:	31-35°C
Flash Point:	126°C
Purity:	> 98 %
Density:	1.044 g/cm³
Solubility:	Sealed in dry, Room Temperature
Appearance:	Crystalline
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00002921
LogP:	1.69210
Quality Standard:	Enterprise Standard
Refractive Index:	1.5819
Stability:	Stable. Incompatible with strong oxidizing agents.

GHS Hazard Statement:	H317 (97.95%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113416317-A	A method for separating C-type lignin and G/S-type lignin from seed coat of Euphorbiaceae plant	20210824
CN-113461534-A	Cinnamyl alcohol ambroxol carbonate latent aroma, and preparation method and application thereof	20210805
CN-113426475-A	Alpha, beta-unsaturated aldehyde ketone hydrogenation catalyst and preparation method thereof	20210714
CN-113321449-A	Manufacturing process of silicon PU for plastic track	20210705
CN-113430067-A	Antibacterial mite-killing washing gel bead and preparation method thereof	20210624

PMID	Publication Date	Title	Journal
33715048	20210501	The IL-1\xa0promoter-driven luciferase reporter cell line THP-G1b can efficiently predict skin-sensitising chemicals	Archives of toxicology
31734321	20200101	CXCL14 downregulation in human keratinocytes is a potential biomarker for a novel in vitro skin sensitization test	Toxicology and applied pharmacology
27965148	20170401	An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens	Toxicology in vitro : an international journal published in association with BIBRA
26795242	20160401	SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study	Toxicology in vitro : an international journal published in association with BIBRA
26244607	20151101	Dual regulation of skin sensitizer-induced HMOX1 expression by Bach1 and Nrf2: Comparison to regulation of the AKR1C2-ARE element in the KeratinoSens cell line	Toxicology and applied pharmacology

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9