Dibutyl sulfide (CAS 544-40-1) — formula C8H18S, molecular weight 146.11 g/mol.
Dibutyl sulfide is a chemical compound with CAS registry number 544-40-1 and molecular formula C8H18S (molecular weight 146.11 g/mol).
CAS number: 544-40-1
Its molecular formula C8H18S comprises 8 C, 18 H, 1 S atoms.
Also known as: Dibutyl sulfide · Butyl sulfide
The CAS registry number of Dibutyl sulfide is 544-40-1.
Molecular formula C8H18S, molecular weight 146.11 g/mol.
It is also registered under: Dibutyl sulfide, Butyl sulfide.
Public-database records for Dibutyl sulfide (CAS 544-40-1), reproduced here for independent cross-checking.
| GHS 通报统计 | 73.3% (239 / 326) |
|---|---|
| 已通报的危害声明 | H315 (26.7%), H319 (26.7%), H335 (21.2%) |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 73.3% (239 / 326) |
| 沸点 | 182.00 to 189.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 182 °C |
| 熔点 | -80 °C |
| 密度 | 0.832-0.840 |
| 蒸气压 | 1.2 [mmHg] |
| 折射率 | 1.448-1.458 |
| CAS 号 | 544-40-1 |
|---|---|
| PubChem CID | 11002 |
| 分子式 | C8H18S |
| 分子量 | 146.11 g/mol |
| IUPAC 名称 | 1-butylsulfanylbutane |
| InChIKey | HTIRHQRTDBPHNZ-UHFFFAOYSA-N |
| UNII（FDA） | 3E3H471GA3 |
| ChEBI 编号 | CHEBI:169705 |
| FEMA 编号 | 2215 |
| JECFA 编号 | 455 |
Dibutyl sulfide; 544-40-1; Butyl sulfide; n-Butyl sulfide; Butane, 1,1'-thiobis-; Butyl monosulfide; 5-THIANONANE; Dibutyl thioether; 1-(Butylsulfanyl)butane; FEMA No. 2215; DTXSID6022058; 3E3H471GA3; NSC-8460; DTXCID902058; RefChem:132948; 208-870-5
| 分子量 | 146.30 |
|---|---|
| XLogP3 | 3.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 6 |
| 精确质量 | 146.11292175 |
| 单同位素质量 | 146.11292175 |
| 拓扑极性表面积 | 25.3 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
二丁基硫醚 的 CAS 号为 544-40-1，分子式 C8H18S，分子量 146.11 g/mol。 UNII 3E3H471GA3; ChEBI 169705; InChIKey HTIRHQRTDBPHNZ-UHFFFAOYSA-N. 沸点: 182.00 to 189.00 °C. @ 760.00 mm Hg; 沸点: 182 °C; 熔点: -80 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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