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2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane

2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane structure

CAS No:
55704-78-4
Formula:
C6H12O2S2
Chemical Name:
2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane
Synonyms:
1,4-Dithiane-2,5-diol,2,5-dimethyl-;p-Dithiane-,2,5-diol,2,5-dimethyl-;2,5-Dimethyl-1,4-dithiane-2,5-diol;2,5-Dimethyl-1,4-dithian-2,5-diol;2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane;NSC 176174;2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

white to light yellow powder

white crystalline solid

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

2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane Basic Attributes

Molecular Weight：

180.29

Exact Mass：

180.29

EC Number：

259-770-3

UNII：

N99176196Z

NSC Number：

176174

DSSTox ID：

DTXSID3047683

HScode：

2934999090

Characteristics

PSA：

91.1

XLogP3：

1.01

Appearance：

white crystalline solid

Density：

1.3±0.1 g/cm3

Melting Point：

136-138 °C @ Solvent: Benzene

Boiling Point：

326.8±42.0 °C at 760 mmHg

Flash Point：

47°C

Refractive Index：

1.609

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Transport codes：

UN 3335

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-37/39

Marks：

F;Xi,Xi,F

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1377 companies from 4 notifications to the ECHA C&L Inventory.

2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane Use and Manufacturing

Uses

Used as meat flavor

Manufacturing Info：

1,4-Dithiane-2,5-diol, 2,5-dimethyl-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:180.3
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:180.02787197
Monoisotopic Mass:180.02787197
Topological Polar Surface Area:91.1
Heavy Atom Count:10
Complexity:126
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane

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