HCID62105

2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane

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

C6H12O2S2180.3 g/molCAS 55704-78-4

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IDENTITY

结构与身份

标准SMILES: CC1(O)CSC(C)(O)CS1
InChIKey: NHKIYYMFGJBOTK-UHFFFAOYSA-N
分子式: C6H12O2S2
平均分子量: 180.3 g/mol
单同位素质量: 180.02787197

COMPUTED

结构计算性质

已同步

XLogP: 0.6
极性表面积: 91.1 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 126

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

slightly

slightly soluble in water; soluble in alcohol

(in ethanol)

Boiling Point

326.00 to 327.00 °C. @ 760.00 mm Hg

Melting Point

81.00 to 83.00 °C. @ 760.00 mm Hg

Physical Description

white crystalline solid

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1378 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

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

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,4-Dithiane-2,5-diol, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Acute Tox. 4 (99.1%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

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

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,4-Dithiane-2,5-diol, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

PHARMACOLOGY

药理信息

来源：PubChem

Cellular Locations

Cytoplasm；Extracellular

USES

用途与制造

来源：PubChem

Use Classification

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information

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

ALIASES

名称与别名

共 63 条

2,5-Dimethyl-1,4-dithiane-2,5-diol55704-78-42,5-Dimethyl-2,5-dihydroxy-1,4-dithiane2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane2-Mercaptopropanone1,4-Dithiane-2,5-diol, 2,5-dimethyl-meaty dithianeFEMA No. 34502,5-Dimethyl-2,5-dihydroxy-p-dithiane2,5-DIMETHYL-[1,4]DITHIANE-2,5-DIOL2,5-Dimethyl-p-dithiane-2,5-diolDTXSID3047683EINECS 259-770-3NSC 176174NSC-176174DTXCID1027683N99176196Z2,5-Dimethyl-1,4-dithian-2,5-diolP-DITHIANE-,2,5-DIOL, 2,5-DIMETHYL-2,5-DIMETHYL-(1,4)DITHIANE-2,5-DIOL

REACTIONS

参与反应

2 条

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384974B2

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uspto-grants-1993_04 · 10.6084/m9.figshare.5104873.v1 · US05201936

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