基本信息
| 线性分子式 | (C2H5)2CHCO2H |
| 分子量 | 116.16 |
| FEMA编号 | 2429 |
| Beilstein | 1098634 |
| EC 号 | 201-796-4 |
| 欧洲委员会编号 | 2001 |
| MDL编号 | MFCD00002670 |
| PubChem化学物质编号 | 24901070 |
| Flavis编号 | 8.045 |
| NACRES | NA.21 |
产品性质
| 质量水平 | 400 |
| 生物来源 | synthetic |
| 等级 | FG Halal |
| agency | follows IFRA guidelines meets purity specifications of JECFA |
| reg. compliance | EU Regulation 1223/2009 EU Regulation 1334/2008 & 178/2002 FCC FDA 21 CFR 117 FDA 21 CFR 172.515 |
| 蒸汽压 | 0.08 mmHg ( 20 ℃) |
| 测定 | ≥98% |
| 折射率 | n |
| bp | 99-101 ℃/18 mmHg (lit.) |
| mp | −16-−13 ℃ (lit.) |
| 密度 | 0.92 g/mL at 25 ℃ (lit.) |
| 文件 | see Safety & Documentation for available documents |
| 性状检查 | berry; acidic; fruity |
| application(s) | flavors and fragrances |
| 食品过敏原 | no known allergens |
| 致敏芳香化合物 | no known allergens |
| SMILES string | CCC(CC)C(O)=O |
| InChI | 1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI key | OXQGTIUCKGYOAA-UHFFFAOYSA-N |
安全信息
| 象形图 |   |
| 警示用语： | Danger |
| 危险声明 | H311 - H315 - H319 - H373 |
| 预防措施声明 | P260 - P264 - P280 - P302 + P352 + P312 - P305 + P351 + P338 - P314 |
| 危险分类 | Acute Tox. 3 Dermal - Eye Irrit. 2 - Skin Irrit. 2 - STOT RE 2 Oral |
| 储存分类代码 | 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects |
| WGK | WGK 1 |
| 闪点(F) | 188.6 °F - closed cup |
| 闪点(C) | 87 ℃ - closed cup |
| 个人防护装备 | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
Sigma-Aldrich
m.cnreagent.com
