Green tea (CAS 989-51-5) — formula C22H18O11, molecular weight 458.4; category food flavors.
Green tea is a flavoring compound with CAS registry number 989-51-5 and molecular formula C22H18O11 (molecular weight 458.4), belonging to the food flavors segment of chemical raw materials.
CAS number: 989-51-5
Its molecular formula C22H18O11 comprises 22 C, 18 H, 11 O atoms.
Also known as: Green tea · (-)-epigallocatechin gallate
Category: food flavors
The CAS registry number of Green tea is 989-51-5.
Molecular formula C22H18O11, molecular weight 458.4.
It is also registered under: Green tea, (-)-epigallocatechin gallate.
Category: Flavors & Fragrances.
Public-database records for Green tea (CAS 989-51-5), reproduced here for independent cross-checking.
| GHS 通报统计 | 18.2% (2 / 11) |
|---|---|
| 已通报的危害声明 | H302 (72.7%), H317 (72.7%), H319 (81.8%), H411 (72.7%), H312 (10%), H401 (10%) |
| GHS 通报统计 | 18.2% (2 / 11) |
|---|
| 熔点 | 140 - 142 °C |
|---|---|
| LogP | 1.08 |
| CAS 号 | 989-51-5 |
|---|---|
| PubChem CID | 65064 |
| 分子式 | C22H18O11 |
| 分子量 | 458.08 g/mol |
| IUPAC 名称 | [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChIKey | WMBWREPUVVBILR-WIYYLYMNSA-N |
| UNII（FDA） | BQM438CTEL |
| ChEBI 编号 | CHEBI:4806 |
(-)-Epigallocatechin gallate; 989-51-5; EGCG; Epigallocatechin gallate; Epigallocatechin-3-gallate; Tea catechin; (-)-Epigallocatechin-3-o-gallate; Teavigo; (-)-Epigallocatechol gallate; DTXSID1029889; L-Epigallocatechin gallate; PF-EGCg 90; Epigallocatechingallate; NVP-XAA 723; BQM438CTEL; epigallocatechin-3-O-gallate
| 分子量 | 458.4 |
|---|---|
| XLogP3 | 1.2 |
| 氢键供体数 | 8 |
| 氢键受体数 | 11 |
| 可旋转键数 | 4 |
| 精确质量 | 458.08491139 |
| 单同位素质量 | 458.08491139 |
| 拓扑极性表面积 | 197 |
| 重原子数 | 33 |
| 形式电荷 | 0 |
(-)-epigallocatechin gallate 的 CAS 号为 989-51-5，分子式 C22H18O11，分子量 458.08 g/mol。 UNII BQM438CTEL; ChEBI 4806; InChIKey WMBWREPUVVBILR-WIYYLYMNSA-N. 熔点: 140 - 142 °C; LogP: 1.08.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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