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(±)-Catechol

(±)-Catechol structure

CAS No:
7295-85-4
Formula:
C15H14O6
Chemical Name:
(±)-Catechol
Synonyms:
2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R,3S)-rel-;Catechol,(±)-;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,trans-(±)-;rel-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;dl-Catechin;dl-Catechol;(±)-Catechol;(±)-Catechin;DL-Catechin;rac-Catechin;Racemic catechin;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,trans-;29907-20-8;72690-97-2
Categories:
Food Additives > Food Antioxidants

Description

Solid

(+)-catechin is the (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-catechin.|An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.|Flavocoxid is a medical food consisting of plant derived flavonoids which have antiinflammatory activity and are used to treat chronic osteoarthritis. Flavocoxid has been linked to minor elevations in serum enzyme levels during therapy and to rare instances of clinically apparent liver injury.

(±)-Catechol Basic Attributes

Molecular Weight：

308.28

Exact Mass：

290.27

EC Number：

230-731-2

UNII：

8R1V1STN48

NSC Number：

755824|2819

DSSTox ID：

DTXSID3022322

HScode：

2932999099

Characteristics

PSA：

119.61000

XLogP3：

1.48180

Appearance：

White to yellow powder

Density：

1.593±0.06 g/cm3(Predicted)

Melting Point：

212-216 °C

Boiling Point：

630.38°C.@760.00mmHg(est)

Water Solubility：

6.311e+004 mg/L @ 25 °C (est)

Storage Conditions：

2-8°C

Collision Cross Section：

165.18 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|184.42 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|159.96 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|159.4 Å² [M-H]-

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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.|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Hepatotoxicity：

In premarketing clinical trials, serum aminotransferase elevations occurred in up to 10% of patients on flavocoxid therapy, but elevations above 3 times the upper limit of normal occurred in only 1% to 2% of recipients. Since its release, however, there have been several reports of clinically apparent acute liver injury attributed to flavocoxid. Most cases have occurred in women, who perhaps are more likely to use flavocoxid. The time to onset was 1 to 5 months, and the pattern of enzyme elevations was usually hepatocellular or mixed. Most cases were moderate in severity and no instance of acute liver failure or death has been reported. Resolution upon stopping flavocoxid occurred in 1 to 3 months. Immunoallergic features were present in some patients, but were mild and autoantibodies were not common. At least one instance of recurrence upon rechallenge has been reported.

Mobility：

107.15 L/kg

Drug Information

LiverTox Summary：

Flavocoxid is a medical food consisting of plant derived flavonoids which have antiinflammatory activity and are used to treat chronic osteoarthritis. Flavocoxid has been linked to minor elevations in serum enzyme levels during therapy and to rare instances of clinically apparent liver injury.

Drug Classes：

Herbal and Dietary Supplements

MeSH Entry Terms：

(+)-Catechin

(±)-Catechol Use and Manufacturing

Uses

Catechin is an important component of tea. It has a strong effect of scavenging free radicals and anti-oxidation. This effect is also the basis of other pharmacological effects of catechins; catechins also have the protection of cardiovascular and cerebrovascular, anti-tumor, anti-bacterial, and anti-virus , Anti-inflammatory, protect nerve, liver, kidney, weight loss, anti-diabetic and many other effects. It can also be used in dye and tanning industries.

Manufacturing Info：

Gambier: ACTIVE

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]

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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Food Additives EGCG Acacia Catechu Extract Catechin Powder Green Tea Extract CAS 7295-85-4

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Catechin

Unit Price: $150-180 /G EXW

CAS No.: 7295-85-4

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