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Esculin Sesquihydrate

Esculin Sesquihydrate structure

CAS No:
66778-17-4
Formula:
C30H38O21
Chemical Name:
Esculin Sesquihydrate
Synonyms:
6,7-Dihydroxycoumarin 6-glucoside, Aesculin, Aesculinum, Esculetin-6-beta-D-glucopyranoside;ESCULIN 1,5H2O;ESCULETIN-6-BETA-D-GLUCOPYRANOSIDE SESQUIHYDRATE;ESCULETIN-6-GLUCOSIDE;ESCULETIN 6-GLUCOSIDE HYDRATE;ESCULETIN-6-O-GLUCOSIDE;(-)-ESCULIN 1.5-HYDRATE;ESCULIN 1.5-WATER
Categories:
Chemical Reagents > Organic Reagents

Description

Esculin hydrate is a hydrate that is the monohydrate form of anhydrous esculin. It has a role as an antioxidant. It contains an esculin.

Esculin Sesquihydrate Basic Attributes

Molecular Weight：

734.613

Exact Mass：

358.089996

BRN：

95387

EC Number：

208-517-5

TSCA：

Yes

DSSTox ID：

DTXSID60583344

Color/Form：

White to off white

HScode：

2938 90 90

Characteristics

PSA：

159.05000

Density：

0.791 g/mL at 20 °C

Melting Point：

203-205 °C

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store at +15°C to +25°C.

Critical Temperature & Pressure：

Store at +15°C to +25°C.

Safety Information

Transport codes：

UN 2924 3/PG 2

wgk germany：

hazard class code：

F,C,Xi

safety instructions：

26-36/37/39-45-36/37

RTECS Number：

DJ3085000

Marks：

F,C,Xi

Hazard Statements：

11-20/21/22-34-68/20/21/22-36/37/38

RIDADR：

UN 2924 3/PG 2

Esculin Sesquihydrate Use and Manufacturing

Esculin sesquihydrate is used to inhibits chemically induced carcinogenesis in mouse skin and kidney, used in a microbiology laboratory to aid in the identification of bacterial species, a naturally occurring antioxidant.

Computed Properties

Molecular Weight:358.30
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:358.08999677
Monoisotopic Mass:358.08999677
Topological Polar Surface Area:147
Heavy Atom Count:25
Complexity:495
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Esculin sesquihydrate

CAS No.: 66778-17-4

Content: 99.00%

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