Phytonadione (CAS 84-80-0) — formula C31H46O2, molecular weight 450.7; category chemical.
Phytonadione is a chemical compound with CAS registry number 84-80-0 and molecular formula C31H46O2 (molecular weight 450.7), belonging to the chemical segment of chemical raw materials.
CAS number: 84-80-0
Its molecular formula C31H46O2 comprises 31 C, 46 H, 2 O atoms.
Also known as: Phytonadione · Vitamin K1
Category: chemical
The CAS registry number of Phytonadione is 84-80-0.
Molecular formula C31H46O2, molecular weight 450.7.
It is also registered under: Phytonadione, Vitamin K1.
Category: Vitamins.
Public-database records for Phytonadione (CAS 84-80-0), reproduced here for independent cross-checking.
| GHS 通报统计 | 13.7% (17 / 124) |
|---|---|
| 已通报的危害声明 | H317 (83.9%), H413 (85.5%) |
| 法规与食品接触 | CIR / INCI: Skin conditioning |
|---|---|
| GHS 通报统计 | 13.7% (17 / 124) |
| 沸点 | 142.5 |
|---|---|
| 沸点 | 140-145 °C @ 0.001 mm Hg |
| 熔点 | -20 |
| 熔点 | -20 °C |
| 密度 | 0.964 @ 25 °C/25 °C |
| LogP | 11.71 |
| CAS 号 | 84-80-0 |
|---|---|
| PubChem CID | 5284607 |
| 分子式 | C31H46O2 |
| 分子量 | 450.35 g/mol |
| IUPAC 名称 | 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione |
| InChIKey | MBWXNTAXLNYFJB-NKFFZRIASA-N |
| UNII（FDA） | S5Z3U87QHF |
| ChEBI 编号 | CHEBI:18067 |
| ATC 编码（WHO） | B02BA01 |
VITAMIN K1; phytonadione; 84-80-0; Phylloquinone; Phytomenadione; Phytylmenadione; Mephyton; 3-Phytylmenadione; Monodion; Synthex P; Phyllochinon; Kinadion; Kephton; Mono-Kay; Combinal K1; Fitomenadiona
| 分子量 | 450.7 |
|---|---|
| XLogP3 | 10.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 14 |
| 精确质量 | 450.349780706 |
| 单同位素质量 | 450.349780706 |
| 拓扑极性表面积 | 34.1 |
| 重原子数 | 33 |
| 形式电荷 | 0 |
维生素K1 的 CAS 号为 84-80-0，分子式 C31H46O2，分子量 450.35 g/mol。 UNII S5Z3U87QHF; ChEBI 18067; InChIKey MBWXNTAXLNYFJB-NKFFZRIASA-N. 沸点: 142.5; 沸点: 140-145 °C @ 0.001 mm Hg; 熔点: -20.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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