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2,2,5,7,8-Pentamethyl-6-chromanol

2,2,5,7,8-Pentamethyl-6-chromanol structure

CAS No:
950-99-2
Formula:
C14H20O2
Chemical Name:
2,2,5,7,8-Pentamethyl-6-chromanol
Synonyms:
2H-1-Benzopyran-6-ol,3,4-dihydro-2,2,5,7,8-pentamethyl-;6-Chromanol,2,2,5,7,8-pentamethyl-;3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-ol;6-Hydroxy-2,2,5,7,8-pentamethylchroman;2,2,5,7,8-Pentamethyl-6-chromanol;2,2,5,7,8-Pentamethyl-6-hydroxychroman;TMC 5;Chromane C1;Chromanol;α-C-1-Chromanol;Chroman C1;NSC 226236;PMC;2,2,5,7,8-Pentamethyl-3,4-dihydrochromen-6-ol;APC 100
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

2,2,5,7,8-Pentamethyl-6-Chromanol (PMC) is the anti-oxidant moiety of vitamin E (α-tocopherol). 2,2,5,7,8-Pentamethyl-6-Chromanol has potent androgen receptor (AR) signaling modulation and anti-cancer activity against prostate cancer cell lines[1].

Solid

Chromanol has been used in trials studying the treatment of Prostate Cancer.

2,2,5,7,8-Pentamethyl-6-chromanol Basic Attributes

Molecular Weight：

220.30700

Exact Mass：

220.31

UNII：

7G73627R36

NSC Number：

226236

DSSTox ID：

DTXSID70241721

HScode：

2932999099

Characteristics

PSA：

29.46000

XLogP3：

3.42100

Appearance：

Solid

Density：

1.034g/cm3

Melting Point：

162 °C

Boiling Point：

344.3ºC at 760 mmHg

Flash Point：

146.1ºC

Refractive Index：

1.529

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

MeSH Entry Terms：

10,10,2,6,5-pentamethyl-1-hydroxychroman

Computed Properties

Molecular Weight:220.31
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:220.146329876
Monoisotopic Mass:220.146329876
Topological Polar Surface Area:29.5
Heavy Atom Count:16
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,5,7,8-Pentamethyl-6-chromanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
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2,2,5,7,8-Pentamethyl-6-chromanol

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