(methylsulfanyl)methane

• ChemBase编号: 107157
• 分子式: C2H6S
• 平均质量: 62.13404
• 单一同位素质量: 62.01902119
• SMILES: CSC
• Canonical SMILES: CSC
• InChI: InChI=1S/C2H6S/c1-3-2/h1-2H3
• InChIKey: QMMFVYPAHWMCMS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (methylsulfanyl)methane
• IUPAC系统名: (Methylsulfanyl)methane
• IUPAC传统名: dimethyl sulfide
• 别名: 甲硫醚; 二甲基硫醚; DIMETHYL SULFIDE; DMS; Methyl sulfide; Dimethyl sulfide

登记号

• CAS号: 75-18-3
• EC号: 200-846-2
• MDL号: MFCD00008562
• Beilstein号: 1696847
• 默克索引号: 146123
• PubChem SID: 24856582; 24870744; 24901306; 24901305; 162088796; 24866063
• PubChem CID: 1068
• CHEBI ID: 17437
• CHEMBL: 15580
• Chemspider ID: 1039
• FEMA编号: 2746
• KEGG ID: C00580
• 医学主题词(MeSH): dimethyl+sulfide
• 美国药典/FDA物质标识码: QS3J7O7L3U
• 维基百科标题: Dimethyl_sulfide
• 欧洲委员会编号: 483c
• Flavis Number: 12.006

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.2235795
• LogD (pH = 7.4): 1.2235795
• Log P: 1.2235795
• 摩尔折射率: 18.8917 cm^3
• 极化性: 7.4785047 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colourless liquid; Liquid
• 熔点: -83°C; -83°C; -98 °C(lit.); -98.15°C (175K)
• 沸点: 34.85 - 40.85°C (308 - 314 K); 37.3°C; 38 °C(lit.); 38°C
• 闪点: -32.8 °F; -36 °C; -48°C(-54°F)
• 自燃点: 206 °C; 402 °F
• 密度: 0.845; 0.846 g cm^-3; 0.846 g/mL at 25 °C(lit.); 0.8483 g/ml
• 折射率: 1.435; 1.4351; n20/D 1.435; n20/D 1.435(lit.)
• 蒸汽压: 26.24 psi ( 55 °C); 53.7 kPa (at 20 °C); 7.79 psi ( 20 °C)
• 蒸汽密度: 2.1 (vs air)
• 分配系数: 0.977
• 气味: Cabbage, sulfurous
• 标准摩尔燃烧焓 (ΔcH^o298): -2.1818--2.1812 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -66.9--63.9 kJ mol^-1
• 感官: sulfurous; vegetable

安全信息

• RTECS编号: PV5075000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1164; UN1164
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-22-37/38-41; 11-37/38-41; R:11-36/37; R11, R22, R37/38, R41
• 安全公开号: 7-9-16-26-29-33-36/39; 9-16-23-26-33-36/37/39; S:3-9-16-26; S7, S9, S16, S26, S29, S33, S36/39
• TSCA收录: 是
• GHS危险品标识: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS警示词: DANGER; Danger
• 爆炸极限: 19.7 %; 19.7%
• GHS危险声明: 225, 315, 318, 335; H225-H315-H318-H335; H225-H318-H315-H302-H335-H333
• GHS警示性声明: 210, 261, 280, 305+351+338; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1164 3/PG 2
• 保存温度: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

药理学性质

• 相关基因信息: rat ... Maoa(29253), Maob(25750)
• 过敏源: no known allergens

产品相关信息

• 纯度: ≥95.0% (GC); ≥99%; ≥99.0%; ≥99.0% (GC); 98%; 99+%
• 级别: anhydrous; FG; Halal; Kosher; natural; NI; puriss.; redistilled
• 蒸发残渣: <0.0005%
• 杂质: <0.003% water; <0.005% water(100 mL pkg)
• 线性分子式: (CH3)2S

详细说明

MP Biomedicals - 05202758

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W274615

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1 kg in glass bottle
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1 sample in glass bottle
5, 9, 25 kg in steel drum

Sigma Aldrich - W274623

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Sigma Aldrich - 41625

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250 mL in glass bottle

Sigma Aldrich - 471577

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2, 2.5 L in glass bottle
20 L in steel drum
25, 250 mL in glass bottle
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Sigma Aldrich - 528021

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Sigma Aldrich - 274380

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100 mL in Sure/Seal™