(R)-(-)-1-Phenyl-1,2-ethanediol - CAS 16355-00-3

Catalog:	BB012009
Product Name:	(R)-(-)-1-Phenyl-1,2-ethanediol
CAS:	16355-00-3
Synonyms:	(1R)-1-phenylethane-1,2-diol; (1R)-1-phenylethane-1,2-diol

Technical Data

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Computed Properties

IUPAC Name:	(1R)-1-phenylethane-1,2-diol
Description:	Intermediate for the synthesis of enantiopure substituted 1,4-Dioxanes. Extremely valuable and versatile alcohol used as a chiral building block in organic synthesis.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	C1=CC=C(C=C1)C(CO)O
InChI:	InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m0/s1
InChI Key:	PWMWNFMRSKOCEY-QMMMGPOBSA-N
Boiling Point:	272-274 °C
Density:	1.17 g/cm³
MDL:	MFCD00064262
LogP:	0.71230

Publication Number	Title	Priority Date
CN-113125547-A	Chiral compound detection method	20200116
CN-113125548-A	Chiral compound detection system	20200116
CN-111040548-A	Environment-friendly flame-retardant mildew-proof powder coating	20191227
CN-111040548-B	Environment-friendly flame-retardant mildew-proof powder coating	20191227
CN-109825534-A	A kind of supercritical CO2The method that/buffer solution diphasic system enzyme process prepares (R) -1- phenyl -1,2- ethylene glycol	20190122

PMID	Publication Date	Title	Journal
22100235	20120701	Efficient asymmetric hydrolysis of styrene oxide catalyzed by Mung bean epoxide hydrolases in ionic liquid-based biphasic systems	Bioresource technology
22142731	20111210	Preparative-scale kinetic resolution of racemic styrene oxide by immobilized epoxide hydrolase	Enzyme and microbial technology
20704329	20100903	Characterization of the epoxide hydrolase NcsF2 from the neocarzinostatin biosynthetic gene cluster	Organic letters
19205628	20100301	Improved production of (R)-1-phenyl-1,2-ethanediol by a codon-optimized R-specific carbonyl reductase from Candida parapsilosis in Escherichia coli	Applied biochemistry and biotechnology
19504270	20100301	Enhancement of substrate concentration in microbial stereoinversion through one-pot oxidation and reduction by aqueous two-phase system	Bioprocess and biosystems engineering

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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:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4