trihydroxyethylrutin (CAS 7085-55-4) — formula C33H42O19, molecular weight 742.7; category organic chemicals.
Documented applications: Uses: Use (kg, approx.) in Germany (2009): >2500, Use (kg) in France (2004): 444339, Consumption (g per capita, approx.) in Germany (2009): 0.0305, Consumption (g per capita) in France (2004): 7.35, Calculated removal (%): 92.1, Use Classification: Cosmetics -> Skin conditioning.
trihydroxyethylrutin is a carbon-based organic compound with CAS registry number 7085-55-4 and molecular formula C33H42O19 (molecular weight 742.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7085-55-4
Its molecular formula C33H42O19 comprises 33 C, 42 H, 19 O atoms.
Also known as: trihydroxyethylrutin · Troxerutin
Category: organic chemicals
The CAS registry number of trihydroxyethylrutin is 7085-55-4.
Molecular formula C33H42O19, molecular weight 742.7.
It is also registered under: trihydroxyethylrutin, Troxerutin.
Recorded applications: Uses: Use (kg, approx.) in Germany (2009): >2500, Use (kg) in France (2004): 444339, Consumption (g per capita, approx.) in Germany (2009): 0.0305, Consumption (g per capita) in France (2004): 7.35, Calculated removal (%): 92.1, Use Classification: Cosmetics -> Skin conditioning.
Category: Organic Chemicals.
Public-database records for trihydroxyethylrutin (CAS 7085-55-4), reproduced here for independent cross-checking.
| GHS notification summary | 70.8% (63 / 89) |
|---|---|
| Reported hazard statements | H302 (29.2%) |
This chemical does not meet GHS hazard criteria for 70.8% (63 of 89) of all reports.
H302 (29.2%): Harmful if swallowed [Warning Acute toxicity, oral]
| Regulatory & Food Contact | CIR / INCI: Skin conditioning |
|---|---|
| GHS notification summary | 70.8% (63 / 89) |
| 熔点 | 181 °C |
|---|
| CAS Registry Number | 7085-55-4 |
|---|---|
| PubChem CID | 5486699 |
| 分子式 | C33H42O19 |
| IUPAC 名称 | 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| UNII(FDA) | 7Y4N11PXO8 |
Troxerutin; 7085-55-4; Troxerutine; Vitamin P4; Venoruton P4; Troxerutina; 3',4',7-Tris(hydroxyethyl)rutin; Troxerutinum; DTXSID4045929; Z 6000; 7Y4N11PXO8; Z-6000; NSC-758937; DTXCID2025929; 3',4',7-tris(O-(2-hydroxyethyl))rutin; RefChem:192282
| 分子量 | 742.7 |
|---|---|
| XLogP3 | -2.4 |
| 氢键供体数 | 10 |
| 氢键受体数 | 19 |
| 可旋转键数 | 15 |
| 精确质量 | 742.23202911 |
| 单同位素质量 | 742.23202911 |
| 拓扑极性表面积 | 293 |
| 重原子数 | 52 |
| 形式电荷 | 0 |
trihydroxyethylrutin · CAS 7085-55-4 · C33H42O19. UNII 7Y4N11PXO8. 熔点: 181 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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