(S)-2-Chloro-alpha-methylbenzyl Alcohol - CAS 131864-71-6

Name: (S)-2-Chloro-alpha-methylbenzyl Alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007506
Product Name:	(S)-2-Chloro-alpha-methylbenzyl Alcohol
CAS:	131864-71-6
Synonyms:	(1S)-1-(2-chlorophenyl)ethanol; (1S)-1-(2-chlorophenyl)ethanol

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Computed Properties

IUPAC Name:	(1S)-1-(2-chlorophenyl)ethanol
Description:	(S)-2-Chloro-alpha-methylbenzyl Alcohol (CAS# 131864-71-6) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C8H9ClO
Canonical SMILES:	CC(C1=CC=CC=C1Cl)O
InChI:	InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
InChI Key:	DDUBOVLGCYUYFX-LURJTMIESA-N
Boiling Point:	231.417 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.182 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.39330

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Related Functional Groups

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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

Publication Number	Title	Priority Date
CN-110129382-B	Method for catalytic synthesis of chiral ortho-halogenated-alpha-phenylethyl alcohol by carbonyl reductase	20190123
WO-2020144476-A1	Manganese catalysts and their use in hydrogenation of ketones	20190108
CN-113260623-A	Manganese catalysts and their use in the hydrogenation of ketones	20190108
CN-108410830-A	A kind of method that ketoreductase and its catalysis prepare (S) -1- (2- chlorphenyls) ethyl alcohol	20180315
CN-108410830-B	Ketoreductase and method for preparing (S) -1- (2-chlorphenyl) ethanol by catalyzing ketoreductase	20180315

PMID	Publication Date	Title	Journal
22281147	20120301	Bioprocess design guided by in situ substrate supply and product removal: process intensification for synthesis of (S)-1-(2-chlorophenyl)ethanol	Bioresource technology
22236335	20120111	Host cell and expression engineering for development of an E. coli ketoreductase catalyst: enhancement of formate dehydrogenase activity for regeneration of NADH	Microbial cell factories
17022667	20060901	Asymmetric reduction of o-chloroacetophenone with Candida pseudotropicalis 104	Biotechnology progress

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0341926
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.0341926
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1