CAS 55704-78-4 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane (HCID 62105)

名称と識別子

優先名称: 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
IUPAC: 2,5-dimethyl-1,4-dithiane-2,5-diol
現地名: 2,5-ジヒドロキシ-2,5-ジメチル-1,4-ジチアン
英語名: Dimeric mercapto propanone
分子式: C6H12O2S2
分子量: 180.29

名称と別名

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-diolDTXSID3047683

名称をさらに表示

2,5-ジメチル-1,4-ジチアン-2,5-ジオール2,5-ジヒドロキシ-2,5-ジメチル-1,4-ジチアン1-メルカプトプロパノン (ダイマー)2,5-dimethyl-2,5-dihydroxy-1,4-disulphocyclohexaneCyclodithalfarol-705Mercaptoacetone dimerDineric mercapto acetoneDiMethyl-2,5-dihydroxy-1Dimer of mercaptoacetoneDiMeril Merapto propanoneDimeric mercapto propanone

EINECS 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

データベース識別子

CAS: 55704-78-4
PubChem CID: 62105
DTXSID: DTXSID3047683
ChEMBL: CHEMBL3181874
ChEBI: CHEBI:178973
UNII: N99176196Z
EC Number: 259-770-3
Nikkaji: J285.273J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 91.1 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 126

実験および物理化学的性質

Solubility · 3 件

slightly

slightly soluble in water; soluble in alcohol

(in ethanol)

Boiling Point326.00 to 327.00 °C. @ 760.00 mm Hg

Melting Point81.00 to 83.00 °C. @ 760.00 mm Hg

Physical Descriptionwhite crystalline solid

物理化学的性質

融点: 64 °C · 64 °C
沸点: 283.13 °C · 283.13°C (rough estimate)
比重(密度): 1.147 · 1.147 (estimate)
屈折率: 1.539 · 1.5390 (estimate)
FEMA: 3450 · 3450 | 2,5-DIMETHYL-2,5-DIHYDROXY-1,4-DITHIANE
闪点: 47 °C · 47°C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
酸解離定数(Pka): 12.12 · 12.12±0.40(Predicted)
外見: 個体
色: White to Almost white
臭い (Odor): 0.1 %。ポーク · プロピレングリコール中0.10%。ポークラムチキンセイボリーブイヨンオニオン
においのタイプ: 肉の風味
由来生物: synthetic
水溶解度: わずかに溶ける
JECFA Number: 562 · 562
主な用途: フレーバーそして香料
InChI: 1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3
InChIKey: NHKIYYMFGJBOTK-UHFFFAOYSA-N
SMILES: CC1(O)CSC(C)(O)CS1
LogP: 1.01 · 1.01
CAS データベース: 55704 · 55704-78-4(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,4-Dithiane-2,5-diol, 2,5-dimethyl- (55704-78-4)

化学的性質

化学的特性white to light yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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 CategoriesAcute Tox. 4 (99.1%)

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3335
hs_code: 2934.99.9001
risk_code: 11-36/37/38
hazard_code: F;Xi,Xi,F
safety_code: 16-26-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information1,4-Dithiane-2,5-diol, 2,5-dimethyl-: ACTIVE

応用分野

天然物の起源Reported found in heated pork.

使用2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane is a useful reactant for the preparation of tetrahydrothiopyranols via a [3+3]-annulation of cyclopropane diesters.

上流・下流製品情報

上流原料

MERCAPTANS

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

化合物ノート

読み込み中…

2,5-ジヒドロキシ-2,5-ジメチル-1,4-ジチアン

基本情報