Sinapyl alcohol - CAS 537-33-7

Catalog:	BB028341
Product Name:	Sinapyl alcohol
CAS:	537-33-7
Synonyms:	4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol

Technical Data

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Computed Properties

IUPAC Name:	4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol
Description:	Sinapyl alcohol (CAS# 537-33-7) is a metabolite of Darolutamide. Darolutamide is a potent androgen receptor antagonist with strong efficacy in prostate cancer models.
Molecular Weight:	210.23
Molecular Formula:	C11H14O4
Canonical SMILES:	COC1=CC(=CC(=C1O)OC)C=CCO
InChI:	InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
InChI Key:	LZFOPEXOUVTGJS-ONEGZZNKSA-N
Boiling Point:	384.7 °C at 760 mmHg
Melting Point:	61-65 °C (lit.)
Purity:	95 %
Density:	1.205 g/cm³
Appearance:	Solid
LogP:	1.41490

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
JP-6919960-B1	New phenylpropanoid compound	20210603
CN-113350345-A	Camptothecin quick-release solid dispersion with lignin as carrier and preparation method thereof	20210520
CN-113265077-A	Bio-based TPU (thermoplastic polyurethane) film for express packaging and preparation method thereof	20210430
CN-113019435-A	Monoatomic palladium/molecular sieve catalyst, preparation thereof and application thereof in preparation of ketone by selective hydrogenation of biomass molecules	20210326

PMID	Publication Date	Title	Journal
22910373	20121101	Chemical changes in Ulmus minor xylem tissue after salicylic acid or carvacrol treatments are associated with enhanced resistance to Ophiostoma novo-ulmi	Phytochemistry
22884779	20121001	In vitro analysis of the monolignol coupling mechanism using dehydrogenative polymerization in the presence of peroxidases and controlled feeding ratios of coniferyl and sinapyl alcohol	Phytochemistry
23028019	20121001	Phylogeny and structure of the cinnamyl alcohol dehydrogenase gene family in Brachypodium distachyon	Journal of experimental botany
22794913	20120901	Phenolic compound production in relation to differentiation in cell and tissue cultures of Larrea divaricata (Cav.)	Plant science : an international journal of experimental plant biology
22794921	20120901	Biochemical characterization and identification of a cinnamyl alcohol dehydrogenase from Artemisia annua	Plant science : an international journal of experimental plant biology

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	210.08920892
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.08920892
Rotatable Bond Count:	4
Topological Polar Surface Area:	58.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3