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1,4-Dithiane-2,5-diol

1,4-Dithiane-2,5-diol structure

CAS No:
40018-26-6
Formula:
C4H8O2S2
Chemical Name:
1,4-Dithiane-2,5-diol
Synonyms:
1,4-Dithiane-2,5-diol;2,5-Dihydroxy-1,4-dithiane;Mercaptoacetaldehyde dimer;p-Dithiane-2,5-diol;1,4-Dithian-2,5-diol;NSC 106280
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

white to yellowish crystalline powder 2,5-Dihydroxy-1,4-dithiane has a sulfurous, meaty, toasted bread-like odor

white to off-white powder

1,4-Dithiane-2,5-diol is a member of dithianes.

1,4-Dithiane-2,5-diol Basic Attributes

Molecular Weight：

152.24

Exact Mass：

152.24

BRN：

104402

EC Number：

254-751-6

UNII：

R4F79F1JB0

NSC Number：

106280

HScode：

29349990

Characteristics

PSA：

91.1

XLogP3：

0.3

Appearance：

White to yellow Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

138-143 °C

Boiling Point：

360.9°C at 760 mmHg

Flash Point：

175.5±26.6 °C

Refractive Index：

1.689

Water Solubility：

H2O: 3.9 g/L (20 ºC)

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2811

wgk germany：

hazard class code：

22-41-43-52/53-36/37/38

safety instructions：

26-36/37/39-61-37/39-24-36

Marks：

Xn,Xi

Precautionary statement(s)：

P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H317-H318

GHS Classification：

|Danger|H302 (95.14%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 1441 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,4-dithiane-2,5-diol

1,4-Dithiane-2,5-diol Use and Manufacturing

Uses

1,4-Dithiane-2,5-diol is a hydroxylated dithiane derivative with phytogrowth-inhibitory and antibacterial activities. Spices for food. Used as pharmaceutical intermediates such as lamivudine

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:152.2
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:151.99657184
Monoisotopic Mass:151.99657184
Topological Polar Surface Area:91.1
Heavy Atom Count:8
Complexity:68.4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,5-Dihydroxy-1,4-dithiane

CAS No.: 40018-26-6

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CAS No.: 40018-26-6

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Guide of 1,4-Dithiane-2,5-diol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,4-Dithiane-2,5-diol

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