硫代香叶醇（CAS 39067-80-6）：分子式 C10H18S、分子量 170.32。
| CAS号 | 39067-80-6 |
|---|---|
| 分子式 | C10H18S |
| 分子量 | 170.32 |
| 沸点 | 58 °C (0.35 mm Hg) |
| LogP | 3.9 |
| 应用领域 | Use Classification: Fragrance Ingredients、Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 1 consumer products that contain 2、6-Octadiene-1-thiol、3、7-dimethyl- in the following categories is provided:、• Inside the Home、General Manufacturing Information: 2、7-dimethyl-: ACTIVE、2、7-dimethyl-、(2E)-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 1 consumer products that contain 2、6-Octadiene-1-thiol、3、7-dimethyl- in the following categories is provided:、• Inside the Home、General Manufacturing Information: 2、7-dimethyl-: ACTIVE、2、7-dimethyl-、(2E)-: ACTIVE。
硫代香叶醇 是一种化工化合物，登记 CAS 号为 39067-80-6，分子式 C10H18S（分子量 170.32）。
登记 CAS 号：39067-80-6
其分子式 C10H18S 由 10 个碳、18 个氢、1 个硫 组成。
别名/同义词：硫代香叶醇 · THIOGERANIOL
硫代香叶醇 的 CAS 登记号为 39067-80-6。
分子式 C10H18S，分子量 170.32。
别名/同义词：硫代香叶醇、THIOGERANIOL。
登记用途：Use Classification: Fragrance Ingredients、Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 1 consumer products that contain 2、6-Octadiene-1-thiol、3、7-dimethyl- in the following categories is provided:、• Inside the Home、General Manufacturing Information: 2、7-dimethyl-: ACTIVE、2、7-dimethyl-、(2E)-: ACTIVE。
硫代香叶醇（CAS 39067-80-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 39067-80-6 |
|---|---|
| PubChem CID | 6365572 |
| Molecular formula | C10H18S |
| Molecular weight | 170.11 g/mol |
| IUPAC name | (2E)-3,7-dimethylocta-2,6-diene-1-thiol |
| InChIKey | FACAUSJJVBMWLV-JXMROGBWSA-N |
| UNII (FDA) | Y6E61O3D5Y |
| ChEBI ID | CHEBI:143703 |
| FEMA number | 3472 |
| JECFA number | 524 |
| Molecular Weight | 170.32 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 170.11292175 |
| Monoisotopic Mass | 170.11292175 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 11 |
| Boiling Point | 58 °C (0.35 mm Hg) |
|---|---|
| Density | 0.903-0.921 |
| Refractive Index | 1.503-1.513 |
Thiogeraniol; 39067-80-6; (E)-3,7-Dimethylocta-2,6-diene-1-thiol; (2E)-3,7-dimethylocta-2,6-diene-1-thiol; Geranyl mercaptan; FEMA No. 3472; UNII-Y6E61O3D5Y; Y6E61O3D5Y; EINECS 254-269-6; 2,6-Octadiene-1-thiol, 3,7-dimethyl-, (E)-; THIOGERANIOL [FHFI]; DTXSID3052064; 3,7-Dimethyl-2,6-octadiene-1-thiol, (E)-; CHEBI:143703; RefChem:189533; DTXCID8030631
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 69.1% (85 / 123) |
| GHS notification summary | 69.1% (85 / 123) |
|---|---|
| Reported hazard statements | H226 (21.1%), H317 (20.3%), H335 (10.6%) |
This chemical does not meet GHS hazard criteria for 69.1% (85 of 123) of all reports.
H226 (21.1%): Flammable liquid and vapor [Warning Flammable liquids]
THIOGERANIOL is identified by CAS 39067-80-6, molecular formula C10H18S and molecular weight 170.11 g/mol. UNII Y6E61O3D5Y; ChEBI 143703; InChIKey FACAUSJJVBMWLV-JXMROGBWSA-N. Boiling Point: 58 °C (0.35 mm Hg); Density: 0.903-0.921; Refractive Index: 1.503-1.513.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: THIOGERANIOL