trans-Styrylacetic acid - CAS 1914-58-5

Catalog:	BB014813
Product Name:	trans-Styrylacetic acid
CAS:	1914-58-5
Synonyms:	(E)-4-phenylbut-3-enoic acid

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	(E)-4-phenylbut-3-enoic acid
Description:	trans-Styrylacetic acid (CAS# 1914-58-5) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	C1=CC=C(C=C1)C=CCC(=O)O
InChI:	InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
InChI Key:	PSCXFXNEYIHJST-QPJJXVBHSA-N
Boiling Point:	302 °C at 760 mmHg
Melting Point:	82-88 °C
Purity:	98 %
Density:	1.145 g/cm³
Appearance:	White to yellow powder or crystals
Storage:	Refrigerator (+4 °C)
MDL:	MFCD00002783
LogP:	2.17450

Publication Number	Title	Priority Date
JP-2021134223-A	Perovskite-type luminescent nanoparticles	20200221
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
JP-2021050256-A	Method for producing perovskite-type luminescent nanoparticles	20190920
CN-110396267-A	A kind of composite material uses headpiece case of the composite material and preparation method thereof	20190725
WO-2020239954-A1	Arthropod control compositions	20190531

PMID	Publication Date	Title	Journal
22033090	20120901	Fragrance material review on 4-phenyl-3-buten-2-ol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22285027	20120215	Synthesis and antimalarial and antituberculosis activities of a series of natural and unnatural 4-methoxy-6-styryl-pyran-2-ones, dihydro analogues and photo-dimers	Bioorganic & medicinal chemistry
21898549	20120101	p38 MAPK activation, JNK inhibition, neoplastic growth inhibition, and increased gap junction communication in human lung carcinoma and Ras-transformed cells by 4-phenyl-3-butenoic acid	Journal of cellular biochemistry
20836657	20110401	Enhanced neuropeptide Y synthesis during intermittent hypoxia in the rat adrenal medulla: role of reactive oxygen species-dependent alterations in precursor peptide processing	Antioxidants & redox signaling
20715282	20100903	Probing the peptidylglycine alpha-hydroxylating monooxygenase active site with novel 4-phenyl-3-butenoic acid based inhibitors	ChemMedChem

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Related Functional Groups

Carbonyl Compounds

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[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[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
[55441-25-3]
1-(2-Cyanophenyl)urea

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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:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3