2-Heptanethiol (CAS 628-00-2) — formula C7H16S, molecular weight 132.10 g/mol.
| CAS Number | 628-00-2 |
|---|---|
| Molecular Formula | C7H16S |
| Molecular Weight | 132.10 g/mol |
| Boiling Point | 98-99 °C (103 mm Hg) |
| LogP | 3.3 |
| Applications | Uses: Used as flavoring agent or adjuvant, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
Documented applications: Uses: Used as flavoring agent or adjuvant, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
2-Heptanethiol is a chemical compound with CAS registry number 628-00-2 and molecular formula C7H16S (molecular weight 132.10 g/mol).
CAS number: 628-00-2
Its molecular formula C7H16S comprises 7 C, 16 H, 1 S atoms.
Also known as: 2-Heptanethiol · 2-庚硫醇
The CAS registry number of 2-Heptanethiol is 628-00-2.
Molecular formula C7H16S, molecular weight 132.10 g/mol.
It is also registered under: 2-Heptanethiol, 2-庚硫醇.
Recorded applications: Uses: Used as flavoring agent or adjuvant, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Independent reference data for 2-Heptanethiol (CAS 628-00-2), compiled from public chemistry databases.
| CAS 号 | 628-00-2 |
|---|---|
| PubChem CID | 522071 |
| 分子式 | C7H16S |
| 分子量 | 132.10 g/mol |
| IUPAC 名称 | heptane-2-thiol |
| InChIKey | DAZNOIJJVKASGS-UHFFFAOYSA-N |
| UNII（FDA） | LD4W307RIH |
| ChEBI 编号 | CHEBI:169377 |
| FEMA 编号 | 4128 |
| JECFA 编号 | 1664 |
| Molecular Weight | 132.27 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.09727168 |
| Monoisotopic Mass | 132.09727168 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 8 |
| Boiling Point | 98-99 °C (103 mm Hg) |
|---|---|
| Density | 0.839-0.844 |
| Refractive Index | 1.442-1.445 (25 °C) |
2-heptanethiol; heptane-2-thiol; 628-00-2; Heptan-2-thiol; LD4W307RIH; FEMA NO. 4128; DTXSID90978461; RefChem:472813; DTXCID801405776; 613-083-9; 2-Heptylthiol; (+-)-2-Heptanethiol; UNII-LD4W307RIH; 2-heptanthiol; 2-heptane thiol; SCHEMBL276343
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
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| 已通报的危害声明 | H302, H315 (99.9%), H319 (99.9%), H335 (99.9%) |
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2-庚硫醇 的 CAS 号为 628-00-2，分子式 C7H16S，分子量 132.10 g/mol。 UNII LD4W307RIH; ChEBI 169377; InChIKey DAZNOIJJVKASGS-UHFFFAOYSA-N. Boiling Point: 98-99 °C (103 mm Hg); Density: 0.839-0.844; Refractive Index: 1.442-1.445 (25 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-庚硫醇