EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

vitamin K1
phytonadione

Supplier Sponsors

Name:2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
CAS Number: 84-80-0Picture of molecule3D/inchi
Other:10485-69-5
ECHA EINECS - REACH Pre-Reg:201-564-2
FDA UNII:S5Z3U87QHF
Nikkaji Web:J20.960K
Beilstein Number:2568816
MDL:MFCD00214063
XlogP3-AA:10.90 (est)
Molecular Weight:450.70602000
Formula:C31 H46 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:dietary supplements
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:pale yellow to yellow amber oils to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98400 @ 25.00 °C.
Melting Point: -20.00 °C. @ 760.00 mm Hg
Boiling Point: 546.00 to 547.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 140.00 °C. @ 0.01 mm Hg
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 10.305 (est)
Soluble in:
 alcohol
 water, 1.482e-007 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:none
Odor Description:at 100.00 %. odorless
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
AIDP
K-Shield™ (Stabilized K1) Phytonadione, phylloquinone 1%
American International Chemical, LLC.
Vitamin K1 (Phytonadione) 1 Trituration
American International Chemical, LLC.
Vitamin K1 USP (Phytonadione)
BASF
Dry Vitamin K1
BOC Sciences
For experimental / research use only.
Vitamin K1 (E-Phytonadione) >98%
Odor: characteristic
Use: Vitamin K1 is widely existed in green plants, photosynthetic bacteria and algae. Dietary Supplement
Farbest-Tallman Foods
Vitamin K1 100% Oil
Flavor: bland
It is used in dietary supplement applications including soft gel capsules.
Foodchem International
Vitamin K1
Graham Chemical
Vitamin K1
Penta International
VITAMIN K1 (PHYTONADIONE) USP
Penta International
VITAMIN K1 (PHYTONADIONE)
Qingdao Dacon Trading
Vitamin K1
Sigma-Aldrich: Sigma
For experimental / research use only.
Vitamin K1 BioXtra, ≥99.0% (sum of isomers, HPLC), mixtur of isomers
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 > 33487 mg/kg
German Offenlegungsschrift Patent Document. Vol. #2808572

oral-mouse LD50 25000 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1339, 1967.

intravenous-mouse LD50 > 6570 mg/kg
Drugs in Japan Vol. 6, Pg. 653, 1982.

intramuscular-man TDLo 11429 ug/kg/8D
BLOOD: EOSINOPHILIA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Archives of Dermatology. Vol. 121, Pg. 1421, 1985.

Dermal Toxicity:
subcutaneous-mouse LDLo 1000 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: dietary supplements
Recommendation for vitamin K1 usage levels up to:
 not for fragrance use.
 
Recommendation for vitamin K1 flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ClinicalTrials.gov:search
Daily Med:search
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):84-80-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5280483
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Chemidplus:0000084800
RTECS:QJ5800000 for cas# 84-80-0
 
References:
 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:84-80-0
Pubchem (cid):5280483
Pubchem (sid):134972505
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C02059
HMDB (The Human Metabolome Database):HMDB03555
FooDB:FDB023333
YMDB (Yeast Metabolome Database):YMDB01526
Export Tariff Code:2936.29.2000
FDA Listing of Food Additive Status:View
MedlinePlusSupp:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
•phytonadione, usp (vit k1, aquamephyton, konakion, mephyton)marketed in 5-mg tablets, & in ampuls containing emulsion of 2 or 10 mgml 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. •phylloquinone is available as a 5 and 10 mg tablet (chewable), a 2 and 10 mgml injection solution, a 10 and 20 mgml oral solution, and a 20 mgml emulsion. phylloquinone is also available as a component (200 ug) of a multivitamin lyophilized, sterile powder intended for reconstitution and dilution in intravenous infusions, as a component (0.075 mg) of and effervescent multivitamin tablet, and as a component (5.5 ug) of a multivitamin infant formula. •parenteral injection; 2 mgml, aquamephyton (with polyoxyethylated fatty acid derivative, dextrone, and benzyl alcohol 0.9%), merck. 10 mgml, aquamephyton (with polyoxyethylated fatty acid derivative, dextrose, and benzyl alcohol 0.9%), merck.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 biological additives
 
Occurrence (nature, food, other):note
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 spinach leaf
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Synonyms:
 aquamephyton
 dry vitamin K1
 K-shield (stabilized K1) phytonadione, phylloquinone 1%
2-methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthoquinone
2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-naphthoquinone
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
1,4-naphthalenedione, 2-methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-
 phylloquinone
 phytonadione
3-((2E)-3,7,11,15-tetramethylhexadec-2-enyl)-2-methylnaphthalene-1,4-dione
 vitamin K1 (phytonadione) 1 trituration
 vitamin K1 100% oil
 vitamin K1 USP (phytonadione)
 
 
Notes:
a family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. members of this group of vitamin k 1 have only one double bond on the proximal isoprene unit. rich sources of vitamin k 1 include green plants, algae, and photosynthetic bacteria. vitamin k1 has antihemorrhagic and prothrombogenic activity. Widely distributed in green leaves and vegetables, esp. cabbage and spinach. Infant formula fortifier Vitamin K is a family of fat-soluble compounds with a common chemical structure, 2, methyl-1,4-napthoquinone. Phylloquinone is present in food of plant origin, such as green, leafy vegetables and certain plant oils, and is the predominant form in the diet. Bacterial and other forms of vitamin K, referred to as the menaquinones, differ in structure from phylloquinone in their 3-substituted lipophilic side chain. Menaquinone-4 (MK-4), which is alkylated from menadione, is present in animal feeds or is the product of tissue-specific conversion directly from dietary phylloquinone. Vitamin K is a cofactor specific to the formation of gamma-carboxyglutamyl (Gla) residues in certain proteins, including prothrombin necessary for normal hemostatic function. The naturally occurring forms of vitamin K are quinones (i.e. phylloquinone and menaquinones) so vitamin K is reduced to the vitamin K hydroquinone prior to catalyzing the gamma-carboxylation reaction. The active site for the carboxylation reaction is on the napthoquinone ring, which is identical for all forms of vitamin K, including phylloquinone and MK-4. (PMID 16857056) [HMDB]
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