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基本情報
- CAS
1191-43-1- 標準SMILES
SCCCCCCS- InChIKey
SRZXCOWFGPICGA-UHFFFAOYSA-N- 分子式
- C6H14S2
- 平均分子量
- 150.3 g/mol
- 単同位体質量
- 150.05369279
名称と識別子
- 優先名称
- 1,6-Hexanedithiol
- IUPAC
- hexane-1,6-dithiol
- 現地名
- 1,6-ヘキサンジチオール
- 英語名
- 1,6-Hexanedithiol
- 分子式
- C6H14S2
- 分子量
- 150.31
名称と別名
1,6-HEXANEDITHIOL1191-43-1Hexane-1,6-dithiol1,6-DimercaptohexaneHexamethylene dimercaptan1,6-Hexane dithiolFEMA No. 3495RWN7RM884ENSC-29031DTXSID60152317RefChem:73634DTXCID9074808
名称をさらに表示
1,6-ヘキサンジチオールヘキサン-1,6-ビスチオールヘキサン-1,6-ジチオール1,6-ヘキサンビスチオール1,6-ヘキサンジチオル1,6-ヘキサンジチオ-ル1,6-ジメルカプトヘキサン1,6‐ヘキサンジチオール1,6-ヘキサンジチオール, 97%1,2-ビス(2-メルカプトエチル)エタンFEMA 3495Hexanedithiolusafuctl-72Hexamethyle1,6-hexanethiol1,6-HEXANDITHIOL1,6-Hexanedithio
214-735-11,6-HexanedimercaptanUSAF uctl-721,6-HexamethylenedithiolMFCD00004910NDR-139Hexanedithiol-(1,6)EINECS 214-735-1
データベース識別子
- CAS
1191-43-1- PubChem CID
- 14491
- DTXSID
DTXSID60152317- ChEBI
CHEBI:173638- UNII
- RWN7RM884E
- EC Number
- 214-735-1
- Nikkaji
- J40.600G
物性
構造計算による物性補完中
- XLogP
- 2.2
- 極性表面積
- 2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 5
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 31
実験および物理化学的性質
Density0.983-0.995
Solubility
insoluble in water; miscible in fat
(in ethanol)
Boiling Point
118.00 to 119.00 °C. @ 15.00 mm Hg
242-243 °C; 118-119 °C (15 mm Hg)
Melting Point-21.00 °C. @ 760.00 mm Hg
Refractive Index1.511-1.5140
Kovats Retention Index
1255；1258
1270；1270
1770
物理化学的性質
- 融点
- -21 °C · -21 °C (lit.)
- 沸点
- 118 · 118-119 °C/15 mmHg (lit.)
- 比重(密度)
- 0.983 g/mL · 0.983 g/mL at 25 °C (lit.)
- 蒸気圧
- 1 mm · ~1 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.511(lit.)
- FEMA
- 3495 · 3495 | 1,6-HEXANEDITHIOL
- 闪点
- 195 °F · 195 °F
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 69.1% (67 of 97) of all reports.
Warning
H302 (30.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (30.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (30.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 67 of 97 reports by companies.；There are 4 notifications provided by 30 of 97 reports by companies with hazard statement code(s).；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
Chemical: 1,6-Hexanedithiol
1,6-Hexanedithiol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (30.9%)；Acute Tox. 4 (30.9%)；Acute Tox. 4 (30.9%)
法規制情報
Regulatory Information
Chemical: 1,6-Hexanedithiol
1,6-Hexanedithiol: Does not have an individual approval but may be used under an appropriate group standard
安全データ
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
応用分野
用途有機合成原料。
天然物の起源Reported found in boiled beef.
使用1,6-Hexanedithiol is used in self-assembled monolayers (SAMs). It is used in synthetic rubber and food with spices. It is also used in Food Flavor, Tobacco Flavor, Blending edible flavors: Beef, poultry soup .
一般的な説明1,6-Hexanedithiol (HDT) is a long chained bi-functional alkanethiol with 6 carbon atoms structured in a zig-zag pattern, which forms a tetrahedral configuration. It forms a self-assembled monolayer (SAM) on a variety of substrates and immobilizes the surface atoms.
上流・下流製品情報
下流製品
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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
関連反応
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化合物ノート
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