基本情報
- CAS
629-19-6- 標準SMILES
CCCSSCCC- InChIKey
ALVPFGSHPUPROW-UHFFFAOYSA-N- 分子式
- C6H14S2
- 平均分子量
- 150.3 g/mol
- 単同位体質量
- 150.05369245
概要
Dipropyl disulfide is an organic disulfide where the alkyl groups specified are propyl. It is a component of the essential oils obtained from Allium. It has a role as a plant metabolite.
名称と識別子
- 優先名称
- Dipropyl disulfide
- IUPAC
- 1-(propyldisulfanyl)propane
- 現地名
- ジプロピルジスルフィド
- 英語名
- Propyl disulfide
- 分子式
- C6H14S2
- 分子量
- 150.31
名称と別名
Dipropyl disulfidePropyl disulfide629-19-61-(Propyldisulfanyl)propaneDisulfide, dipropylDi-n-propyl disulfiden-Propyl disulfide4,5-DITHIAOCTANEFEMA No. 3228DTXSID2022096I7K169J70FNSC-75122
名称をさらに表示
ジプロピルジスルフィドジプロピルペルジスルフィドジプロピルペルスルフィド4,5-ジチアオクタンビスプロピルペルスルフィド二硫化ジプロピルプロピルジスルフィドジ-N-プロピルジスルフィド二硫化プロピルジ-n-プロピルジスルフィド, 99%二硫化プロピル99%FEMA 32281,2-DipropyldisulfanePROPYL DISULPHIDEDisulfide,dipropyl(n-C3H7S)24,5-Dithiaoctan
DTXCID302096CHEBI:45758FEMA NO. 4577, DIPROPYL-RefChem:920442211-079-8Dipropyl disulphidePropyldithiopropane1,1'-dithiodipropane
データベース識別子
- CAS
629-19-6- PubChem CID
- 12377
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 50.6 Ų
- 水素結合供与体数
- 0
- 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
- 31.5
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Dipropyl disulfide) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.950-0.960
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in ethyl alcohol and oil
(in ethanol)
Flash Point151 °F
Boiling Point
193.00 to 195.00 °C. @ 760.00 mm Hg
193.5-195 °C; 99 °C (40 mm Hg)
383 °F
Melting Point
-85.6 °C
-122.1 °F
Refractive Index1.495-1.500
Physical Description
Liquid
colourless to pale yellowish liquid with poor tenacity; pungent sulfur-like odour of onion or garlic
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (4 of 1428) of reports.
Warning
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1428 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Disulfide, dipropyl
Regulation (EC) No 1831/2003 (amended)
Disulfide, dipropyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (91.1%)
安全データ
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JO1955000
- ridadr
- 2810
- hs_code
- 29309070
- risk_code
- 36/37/38
- 化審法
- (2)-477, (2)-2421
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 23-24/25-37/39-26
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
General Manufacturing InformationDisulfide, dipropyl: ACTIVE
応用分野
天然物の起源Reported found in cabbage, onion, garlic, shallot, roasted onion, raw leek, heated leek, chive, nobiru, caucas, Welsh onion, scallion, grilled and roasted beef and roasted peanut.
一般的な説明Dipropyl disulfide (DPDS) was an efficient scavenger of reactive oxygen species (ROS) at a lower concentration in both HL-60 and HepG2 cells. It prevents the oxidative DNA damage caused by N-nitrosopiperidine (NPIP) and N-nitrosodibutylamine (NDBA).
調製方法
製造方法By boiling propyl bromide and Na2S2 in propyl alcohol; from iodine and n-propyl mercaptan; from propyl iodide and sodium thiosulfate by way of sodium propyl thiosulfate, followed by heating.
上流・下流製品情報
下流製品
関連反応
6 件
化合物ノート
読み込み中…