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(-)-Catechol

(-)-Catechol structure

CAS No:
18829-70-4
Formula:
C15H14O6
Chemical Name:
(-)-Catechol
Synonyms:
2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2S,3R)-;Catechol,(-)-;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2S-trans)-;(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;(-)-Catechin;L-Catechin;l-Catechin;(-)-Catechol;l-Catechol;NSC 81746;(-)-(2S,3R)-Catechin;ent-Catechin;(-)-(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol;(2S,3R)-Ent-catechin;(2S,3R)-Catechin
Categories:
Food Additives > Anticaking Agent

Description

(-)-Catechin, isolated from green tea, is an isomer of Catechin having a trans 2S,3R configuration at the chiral center. Catechin inhibits cyclooxygenase-1 (COX-1) with an IC50 of 1.4 μM.

(-)-catechin is the (-)-enantiomer of catechin. It has a role as a metabolite. It is an enantiomer of a (+)-catechin.

(-)-Catechol Basic Attributes

Molecular Weight：

308.28

Exact Mass：

290.27

EC Number：

242-611-7

UNII：

FHB0GX3D44

NSC Number：

81746

DSSTox ID：

DTXSID40172174

Characteristics

PSA：

110.38000

XLogP3：

1.54610

Appearance：

Solid

Density：

1.593±0.06 g/cm3(Predicted)

Melting Point：

93-96 °C

Boiling Point：

630.4±55.0 °C(Predicted)

Flash Point：

335ºC

Storage Conditions：

2-8°C

Vapor Pressure：

1.09E-20mmHg at 25°C

Specific rotation：

D -16.8°

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(-)-Catechol Use and Manufacturing

In dyeing and tanning.

Computed Properties

Molecular Weight:290.27
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:290.07903816
Monoisotopic Mass:290.07903816
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:364
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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