識別子と物理属性
| CAS No. | 10485-94-6 |
|---|
| 分子式 | C6H12O5 |
|---|
| 平均分子量 | 164.16 g/mol |
|---|
| 単同位体質量 | 164.06847348 g/mol |
|---|
| SMILES | C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O |
|---|
| InChIKey | SHZGCJCMOBCMKK-JFNONXLTSA-N |
|---|
| PubChem CID | 25310 |
|---|
| ChEMBL | CHEMBL5308434 |
|---|
| ChEBI | CHEBI:62346 |
|---|
| EC No. | 222-793-4 |
|---|
| DTXSID | DTXSID801019197 |
|---|
化学・物理的性質
| XLogP | -2.1 |
|---|
| 極性表面積 | 90.2 |
|---|
| 水素結合供与体数 | 4 |
|---|
| 水素結合受容体数 | 5 |
|---|
| 回転可能結合数 | 0 |
|---|
| 重原子数 | 11 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 139 |
|---|
| 化粧品 | Cosmetic ingredients (Rhamnose) -> CIR (Cosmetic Ingredient Review)Humectant |
|---|
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
|---|
| 沸点 | 398.00 to 399.00 °C. @ 760.00 mm Hg399.1±35.0 °C(Predicted) |
|---|
| 融点 | 122 °C |
|---|
| Physical Description | CBISolid |
|---|
| Collision Cross Section | 142.6 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]146.3 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field] |
|---|
| 密度 | 1.410±0.06 g/cm3(Predicted) |
|---|
| pKa(酸解離定数) | 12.50±0.20(Predicted) |
|---|
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (134 of 134) of all reports.Not ClassifiedAggregated GHS information provided per 134 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|
| 規制情報 | Chemical: L-Mannose, 6-deoxy-L-Mannose, 6-deoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of L-Mannose, 6-deoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 6-deoxy-L-mannose (EC: 222-793-4)L-Mannose, 6-deoxy-: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| その他の安全情報 | IMAP assessments - L-Mannose, 6-deoxy-: Environment tier I assessment |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
| 毒性の概要 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
|---|