Ethyl 3-phenylglycidate - CAS 121-39-1

Catalog:	BB005131
Product Name:	Ethyl 3-phenylglycidate
CAS:	121-39-1
Synonyms:	ethyl 3-phenyloxirane-2-carboxylate

Technical Data

IUPAC Name:	ethyl 3-phenyloxirane-2-carboxylate
Description:	Ethyl 3-phenylglycidate (CAS# 121-39-1) is used in preparation method of early-strength viscosity-breaking Polycarboxylate water reducer containing three viscosity-breaking group and used as concrete additive.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CCOC(=O)C1C(O1)C2=CC=CC=C2
InChI:	InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChI Key:	GOMAKLPNAAZVCJ-UHFFFAOYSA-N
Boiling Point:	96 ℃
Melting Point:	less than 32 °F
Flash Point:	113°C
Purity:	> 90.0 % (GC)
Density:	1.102 g/cm³
Solubility:	Other solvents(Soluble) : Ether, Alcohols, Chloroform
Appearance:	Clear pale yellow or yellow liquid.
Storage:	0-6 ℃
MDL:	MFCD00005123
LogP:	1.68960
pH:	Acid value: not more than 1.0
Refractive Index:	1.518
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.

GHS Hazard Statement:	H317 (99.62%): 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-112143568-A	Cleaning agent capable of changing color when meeting dirt and preparation method thereof	20201027
EP-3900696-A1	Encapsulated fragrance composition	20200421
EP-3900697-A1	Fragrance composition	20200421
US-2021324298-A1	Fragrance composition	20200421
US-2021324299-A1	Encapsulated fragrance composition	20200421

PMID	Publication Date	Title	Journal
20932822	20110630	The cap'n'collar transcription factor Nrf2 mediates both intrinsic resistance to environmental stressors and an adaptive response elicited by chemopreventive agents that determines susceptibility to electrophilic xenobiotics	Chemico-biological interactions
14969419	20031201	Epoxide hydrolase-catalyzed resolution of ethyl 3-phenylglycidate using whole cells of Pseudomonas sp	Biotechnology letters
16279213	20030601	[Isolation of a bacterium producing epoxide hydrolase with high enantioselectivity and optimization of fermentation conditions]	Wei sheng wu xue bao = Acta microbiologica Sinica

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.8 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7