Phytonadione

CAS 84-80-0C31H46O2MW 450.7

Phytonadione (CAS 84-80-0) — formula C31H46O2, molecular weight 450.7; category chemical.

Product Overview

CAS Number	84-80-0
Molecular Formula	C31H46O2
Molecular Weight	450.7
LogP	10.9
Category	Vitamins

Technical Profile

What this product is

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.

Identification

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

Frequently Asked Questions

What is the CAS number of Phytonadione?

The CAS registry number of Phytonadione is 84-80-0.

What is the molecular formula and molecular weight of Phytonadione?

Molecular formula C31H46O2, molecular weight 450.7.

What other names is Phytonadione known by?

It is also registered under: Phytonadione, Vitamin K1.

Which category does Phytonadione belong to?

Category: Vitamins.

PubChem Public Data

Independent reference data for Phytonadione (CAS 84-80-0), compiled from public chemistry databases.

Registry identifiers across 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

Computed descriptors

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

Physicochemical values on record

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

Synonyms and trade names

VITAMIN K1; phytonadione; 84-80-0; Phylloquinone; Phytomenadione; Phytylmenadione; Mephyton; 3-Phytylmenadione; Monodion; Synthex P; Phyllochinon; Kinadion; Kephton; Mono-Kay; Combinal K1; Fitomenadiona

Regulatory listings held on file

法规与食品接触	CIR / INCI: Skin conditioning
GHS 通报统计	13.7% (17 / 124)

GHS hazard classification

GHS 通报统计	13.7% (17 / 124)
已通报的危害声明	H317 (83.9%), H413 (85.5%)

What the public record says

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.