Vitamin K1 (CAS 84-80-0) — formula C31H46O2, molecular weight 450.35 g/mol.
| CAS Number | 84-80-0 |
|---|---|
| Molecular Formula | C31H46O2 |
| Molecular Weight | 450.35 g/mol |
| Melting Point | -20 |
| Boiling Point | 142.5 |
| LogP | 11.71 |
| Applications | Uses: The major dietary source of vitamin K found in green plants, algae, and photosynthetic bacteria, Used as a vitamin (prothrombogenic) and veterinary antidote for dicoumarol poisoning, [Merck Index] Essential vitamin for the synthesis of coagulation factors II, VII, IX, and X in the liver, Used to reverse anticoagulation (prolonged prothrombin time) caused by coumarin and indanedione derivatives, [Olson, p. 633], MEDICATION (VET), MEDICATION, Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 97.7, For the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia., Use Classification: Cosmetics -> Skin conditioning, Methods of Manufacturing: Partial syntheses from menadione and phytol ... Synthesis using a pi-allylic nickel(I) complex ... ., Synthetically from 2-methyl-1, 4-naphthoquinone and phytol., The first syntheses and structural elucidation of phylloquinone were published in 1939 almost simultaneously by four groups. The starting materials were menadione or menadiol as the aromatic component and natural phytol or one of its derivatives. A breakthrough in commercial synthesis was achieved in the 1950s, when it was found that monoacylated menadiols (e.g. the monoacetate or the monobenzoate) could be used advantageously in the alkylation step and that natural phytol could be replaced by isophytol, which is easy to synthesize., Impurities: Commercial preparations may contain up to 20% of the cis isomer., Commercially available phylloquinone (vitamin K1) is prepared synthetically and may contain not only 2', 3'-trans-phylloquinone (not less than 75%), but also 2', 3'-cis-phylloquinone and trans-epoxyphylloquinone (not more than 4.0 percent). Phylloquinone occurs in nature only as the 2', 3'-trans-7R, 11R-stereoisomer., Formulations, Preparations: PHYTONADIONE, USP (VIT K1, AQUAMEPHYTON, KONAKION, MEPHYTON)... MARKETED IN 5-MG TABLETS, & IN AMPULS CONTAINING EMULSION OF 2 OR 10 MG, ML OF PHYTONADIONE DISPERSED IN SOLN OF BUFFERED POLYSORBATE & PROPYLENE GLYCOL (KONAKION) OR POLYETHYLATED FATTY ACID DERIV & DEXTROSE (AQUAMEPHYTON)., KONAKION IS ADMIN ONLY IM, AQUAMEPHYTON MAY BE GIVEN BY ANY PARENTERAL ROUTE., COLLOIDAL SOLN IS MARKETED UNDER NAME AQUA-MEPHYTON., Oral tablets, 5 mg, Mephyton (scored) Merck., For more Formulations, Preparations (Complete) data for PHYTONADIONE (6 total), please visit the HSDB record page., General Manufacturing Information: 1, 4-Naphthalenedione, 2-methyl-3-[(2E, 7R, 11R)-3, 7, 11, 15-tetramethyl-2-hexadecen-1-yl]-: ACTIVE, PHYLLOQUINONE IS FOUND IN PLANTS, IT IS ONLY NATURAL VIT K AVAIL FOR THERAPEUTIC USE., SYNTH YIELDS MIXT OF CIS & TRANS ISOMERS OF WHICH TRANS FORM PREDOMINATES. COMMERCIAL PREPN MAY CONTAIN UP TO 20% OF CIS ISOMER., METABOLIC STUDIES: SHEARER ET AL, BRIT J HAEMATOL 18, 297 (1970), 22, 579 (1972). CIS ISOMER HAS LITTLE, IF ANY, VIT K ACTIVITY: MATSCHINER ET AL, J NUTR 102, 625 (1972)., DRUGS WITH VIT K ACTIVITY MAY BE CHEMICALLY ASSAYED & DO NOT REQUIRE BIOASSAY. ...DETERMINATION OF VIT K CONTENT OF FOODS, ASSAY BASED UPON ABILITY OF PREPN TO INCR PROTHROMBIC LEVEL OF DEFICIENT CHICKS IS EMPLOYED., For more General Manufacturing Information (Complete) data for PHYTONADIONE (9 total) |
Documented applications: Uses: The major dietary source of vitamin K found in green plants, algae, and photosynthetic bacteria, Used as a vitamin (prothrombogenic) and veterinary antidote for dicoumarol poisoning, [Merck Index] Essential vitamin for the synthesis of coagulation factors II, VII, IX, and X in the liver, Used to reverse anticoagulation (prolonged prothrombin time) caused by coumarin and indanedione derivatives, [Olson, p. 633], MEDICATION (VET), MEDICATION, Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 97.7, For the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia., Use Classification: Cosmetics -> Skin conditioning, Methods of Manufacturing: Partial syntheses from menadione and phytol ... Synthesis using a pi-allylic nickel(I) complex ... ., Synthetically from 2-methyl-1, 4-naphthoquinone and phytol., The first syntheses and structural elucidation of phylloquinone were published in 1939 almost simultaneously by four groups. The starting materials were menadione or menadiol as the aromatic component and natural phytol or one of its derivatives. A breakthrough in commercial synthesis was achieved in the 1950s, when it was found that monoacylated menadiols (e.g. the monoacetate or the monobenzoate) could be used advantageously in the alkylation step and that natural phytol could be replaced by isophytol, which is easy to synthesize., Impurities: Commercial preparations may contain up to 20% of the cis isomer., Commercially available phylloquinone (vitamin K1) is prepared synthetically and may contain not only 2', 3'-trans-phylloquinone (not less than 75%), but also 2', 3'-cis-phylloquinone and trans-epoxyphylloquinone (not more than 4.0 percent). Phylloquinone occurs in nature only as the 2', 3'-trans-7R, 11R-stereoisomer., Formulations, Preparations: PHYTONADIONE, USP (VIT K1, AQUAMEPHYTON, KONAKION, MEPHYTON)... MARKETED IN 5-MG TABLETS, & IN AMPULS CONTAINING EMULSION OF 2 OR 10 MG, ML OF PHYTONADIONE DISPERSED IN SOLN OF BUFFERED POLYSORBATE & PROPYLENE GLYCOL (KONAKION) OR POLYETHYLATED FATTY ACID DERIV & DEXTROSE (AQUAMEPHYTON)., KONAKION IS ADMIN ONLY IM, AQUAMEPHYTON MAY BE GIVEN BY ANY PARENTERAL ROUTE., COLLOIDAL SOLN IS MARKETED UNDER NAME AQUA-MEPHYTON., Oral tablets, 5 mg, Mephyton (scored) Merck., For more Formulations, Preparations (Complete) data for PHYTONADIONE (6 total), please visit the HSDB record page., General Manufacturing Information: 1, 4-Naphthalenedione, 2-methyl-3-[(2E, 7R, 11R)-3, 7, 11, 15-tetramethyl-2-hexadecen-1-yl]-: ACTIVE, PHYLLOQUINONE IS FOUND IN PLANTS, IT IS ONLY NATURAL VIT K AVAIL FOR THERAPEUTIC USE., SYNTH YIELDS MIXT OF CIS & TRANS ISOMERS OF WHICH TRANS FORM PREDOMINATES. COMMERCIAL PREPN MAY CONTAIN UP TO 20% OF CIS ISOMER., METABOLIC STUDIES: SHEARER ET AL, BRIT J HAEMATOL 18, 297 (1970), 22, 579 (1972). CIS ISOMER HAS LITTLE, IF ANY, VIT K ACTIVITY: MATSCHINER ET AL, J NUTR 102, 625 (1972)., DRUGS WITH VIT K ACTIVITY MAY BE CHEMICALLY ASSAYED & DO NOT REQUIRE BIOASSAY. ...DETERMINATION OF VIT K CONTENT OF FOODS, ASSAY BASED UPON ABILITY OF PREPN TO INCR PROTHROMBIC LEVEL OF DEFICIENT CHICKS IS EMPLOYED., For more General Manufacturing Information (Complete) data for PHYTONADIONE (9 total).
Vitamin K1 is a chemical compound with CAS registry number 84-80-0 and molecular formula C31H46O2 (molecular weight 450.35 g/mol).
CAS number: 84-80-0
Its molecular formula C31H46O2 comprises 31 C, 46 H, 2 O atoms.
Also known as: Vitamin K1 · 维生素K1 · Phytonadione
The CAS registry number of Vitamin K1 is 84-80-0.
Molecular formula C31H46O2, molecular weight 450.35 g/mol.
It is also registered under: Vitamin K1, 维生素K1, Phytonadione.
Recorded applications: Uses: The major dietary source of vitamin K found in green plants, algae, and photosynthetic bacteria, Used as a vitamin (prothrombogenic) and veterinary antidote for dicoumarol poisoning, [Merck Index] Essential vitamin for the synthesis of coagulation factors II, VII, IX, and X in the liver, Used to reverse anticoagulation (prolonged prothrombin time) caused by coumarin and indanedione derivatives, [Olson, p. 633], MEDICATION (VET), MEDICATION, Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 97.7, For the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia., Use Classification: Cosmetics -> Skin conditioning, Methods of Manufacturing: Partial syntheses from menadione and phytol ... Synthesis using a pi-allylic nickel(I) complex ... ., Synthetically from 2-methyl-1, 4-naphthoquinone and phytol., The first syntheses and structural elucidation of phylloquinone were published in 1939 almost simultaneously by four groups. The starting materials were menadione or menadiol as the aromatic component and natural phytol or one of its derivatives. A breakthrough in commercial synthesis was achieved in the 1950s, when it was found that monoacylated menadiols (e.g. the monoacetate or the monobenzoate) could be used advantageously in the alkylation step and that natural phytol could be replaced by isophytol, which is easy to synthesize., Impurities: Commercial preparations may contain up to 20% of the cis isomer., Commercially available phylloquinone (vitamin K1) is prepared synthetically and may contain not only 2', 3'-trans-phylloquinone (not less than 75%), but also 2', 3'-cis-phylloquinone and trans-epoxyphylloquinone (not more than 4.0 percent). Phylloquinone occurs in nature only as the 2', 3'-trans-7R, 11R-stereoisomer., Formulations, Preparations: PHYTONADIONE, USP (VIT K1, AQUAMEPHYTON, KONAKION, MEPHYTON)... MARKETED IN 5-MG TABLETS, & IN AMPULS CONTAINING EMULSION OF 2 OR 10 MG, ML OF PHYTONADIONE DISPERSED IN SOLN OF BUFFERED POLYSORBATE & PROPYLENE GLYCOL (KONAKION) OR POLYETHYLATED FATTY ACID DERIV & DEXTROSE (AQUAMEPHYTON)., KONAKION IS ADMIN ONLY IM, AQUAMEPHYTON MAY BE GIVEN BY ANY PARENTERAL ROUTE., COLLOIDAL SOLN IS MARKETED UNDER NAME AQUA-MEPHYTON., Oral tablets, 5 mg, Mephyton (scored) Merck., For more Formulations, Preparations (Complete) data for PHYTONADIONE (6 total), please visit the HSDB record page., General Manufacturing Information: 1, 4-Naphthalenedione, 2-methyl-3-[(2E, 7R, 11R)-3, 7, 11, 15-tetramethyl-2-hexadecen-1-yl]-: ACTIVE, PHYLLOQUINONE IS FOUND IN PLANTS, IT IS ONLY NATURAL VIT K AVAIL FOR THERAPEUTIC USE., SYNTH YIELDS MIXT OF CIS & TRANS ISOMERS OF WHICH TRANS FORM PREDOMINATES. COMMERCIAL PREPN MAY CONTAIN UP TO 20% OF CIS ISOMER., METABOLIC STUDIES: SHEARER ET AL, BRIT J HAEMATOL 18, 297 (1970), 22, 579 (1972). CIS ISOMER HAS LITTLE, IF ANY, VIT K ACTIVITY: MATSCHINER ET AL, J NUTR 102, 625 (1972)., DRUGS WITH VIT K ACTIVITY MAY BE CHEMICALLY ASSAYED & DO NOT REQUIRE BIOASSAY. ...DETERMINATION OF VIT K CONTENT OF FOODS, ASSAY BASED UPON ABILITY OF PREPN TO INCR PROTHROMBIC LEVEL OF DEFICIENT CHICKS IS EMPLOYED., For more General Manufacturing Information (Complete) data for PHYTONADIONE (9 total).
Independent reference data for Vitamin K1 (CAS 84-80-0), compiled from public chemistry databases.
| 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 |
| Molecular Weight | 450.7 |
|---|---|
| XLogP3 | 10.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 14 |
| Exact Mass | 450.349780706 |
| Monoisotopic Mass | 450.349780706 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 33 |
| Boiling Point | 142.5 |
|---|---|
| Boiling Point | 140-145 °C @ 0.001 mm Hg |
| Melting Point | -20 |
| Melting Point | -20 °C |
| Density | 0.964 @ 25 °C/25 °C |
| LogP | 11.71 |
VITAMIN K1; phytonadione; 84-80-0; Phylloquinone; Phytomenadione; Phytylmenadione; Mephyton; 3-Phytylmenadione; Monodion; Synthex P; Phyllochinon; Kinadion; Kephton; Mono-Kay; Combinal K1; Fitomenadiona
| 法规与食品接触 | CIR / INCI: Skin conditioning |
|---|---|
| GHS 通报统计 | 13.7% (17 / 124) |
| GHS 通报统计 | 13.7% (17 / 124) |
|---|---|
| 已通报的危害声明 | H317 (83.9%), H413 (85.5%) |
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. Boiling Point: 142.5; Boiling Point: 140-145 °C @ 0.001 mm Hg; Melting Point: -20.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 维生素K1