3-(prop-2-en-1-yldisulfanyl)prop-1-ene

• ChemBase编号: 105786
• 分子式: C6H10S2
• 平均质量: 146.2736
• 单一同位素质量: 146.02239232
• SMILES: C=CCSSCC=C
• Canonical SMILES: C=CCSSCC=C
• InChI: InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
• InChIKey: PFRGXCVKLLPLIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(prop-2-en-1-yldisulfanyl)prop-1-ene
• IUPAC传统名: garlicin
• 别名: 烯丙基二硫; 二烯丙基二硫; 二烯丙基二硫; 烯丙基二硫醚; 二烯丙基联二硫; Garlicin; DADS; Diallyl disulfide; Allyl disulfide; Diallyl disulfide; Allyl disulfide; Diallyl disulfide; ALLYL DISULFIDE

登记号

• CAS号: 2179-57-9
• EC号: 218-548-6
• MDL号: MFCD00008656
• Beilstein号: 1699241
• PubChem SID: 24859096; 24859572; 24900804; 162087637
• PubChem CID: 16590
• CHEBI ID: 4488
• CHEMBL: 366603
• Chemspider ID: 15730
• FEMA编号: 2028
• KEGG ID: C08369
• 维基百科标题: Diallyl_disulfide
• 欧洲委员会编号: 485
• Flavis Number: 12.008

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.7611067
• LogD (pH = 7.4): 2.7611067
• Log P: 2.7611067
• 摩尔折射率: 45.417 cm^3
• 极化性: 17.493431 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: soluble in ethanol and oils in water
• 外观: yellowish clear liquid with an intense garlic smell
• 沸点: 180 °C; 180-190°C; 180-195 °C(lit.)
• 闪点: 143.6 °F; 51°C(123°F); 62 °C
• 密度: 1.0 g/mL at 20 °C(lit.); 1.008; 1.008 g/mL at 25 °C(lit.); 1.01 g/cm^3
• 折射率: 1.5410; n20/D 1.54; n20/D 1.541(lit.)
• 蒸汽压: 1 mmHg ( 20 °C)
• 蒸汽密度: >5 (vs air)
• 感官: green; alliaceous (onion, garlic)

安全信息

• 保存条件: 2-8°C
• RTECS编号: BB1000000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 10-22-36/37/38; 22-36/37/38; R:22
• 安全公开号: 22-36/37/38; 23-26-36/37; 26-36/37/39; S:36/37/39
• 欧盟危险货物分类: T1
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H226-H302-H315-H319-H335; H301-H315-H319-H335
• GHS警示性声明: P260-P280H-P305+P351+P338; P261-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• 保存温度: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR (172.515)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ~80% (GC); ≥80%; 80%; tech. 80%, remainder mainly diallyl sulfide and diallyl trisulfide
• 级别: FG; Halal; Kosher; NI; technical; technical grade
• 杂质: 10-20% diallyl sulfide
• 线性分子式: CH2=CHCH2SSCH2CH=CH2

详细说明

MP Biomedicals - 02194126

(Diallyl disulfide)

MP Biomedicals - 05209281

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W202800

Biochem/physiol Actions
Organosulfur compound that is naturally found in garlic. Contributes to the pungenet odor of crushed garlic. Anticancer agent and may provide protection against cardiovascular disease.
包装
1 kg in glass bottle
玻璃瓶包装
1 sample in glass bottle
100 g in glass bottle
5 kg in comp drum

Sigma Aldrich - 317691

Biochem/physiol Actions
Organosulfur compound that is naturally found in garlic. Contributes to the pungenet odor of crushed garlic. Anticancer agent and may provide protection against cardiovascular disease.
Other Notes
残留有其他烯丙基硫化物
包装
25, 100 g in glass bottle