Acetomenaphthone
Basic information
- CAS
573-20-6- Standard SMILES
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12- InChIKey
RYWSYCQQUDFMAU-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Overview
Acetomenaphthone is a member of naphthalenes.
Names & identifiers
- Preferred name
- Acetomenaphthone
- IUPAC
- (4-acetyloxy-3-methylnaphthalen-1-yl) acetate
- English name
- Menadiol diacetate
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
AcetomenaphthoneMenadiol diacetateKapilinKapilonKayviteProkayvit oralKativ powderDavitamon-KVitamin K diacetateVitavel K1,4-Diacetoxy-2-methylnaphthaleneAdaprin
Show more names
VITAMIN K4menadioVitavelK
PafavitDavitamon-K-oralKapathromMenadiol di(acetate)1,4-NAPHTHALENEDIOL, 2-METHYL-, DIACETATE2-Methyl-1,4-naphthohydroquinone diacetate2-Methyl-1,4-naphthylene diacetateNSC 403062
Database identifiers
- CAS
573-20-6- PubChem CID
- 11310
- DTXSID
DTXSID4046236- ChEMBL
CHEMBL1479848- ChEBI
CHEBI:31164- UNII
- DWG8UZD9HT
- EC Number
- 209-352-1
- Nikkaji
- J12.882A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Melting Point113 °C
Physical DescriptionSolid
Collision Cross Section157.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Melting point
- 113 °C · 113 °C
- Boiling point
- 361.52 °C · 361.52°C (rough estimate)
- Density
- 1.2105 · 1.2105 (rough estimate)
- refractive index
- 1.4872 · 1.4872 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 1 mg/ml
- form
- powder to crystal
- color
- White to Almost white
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Danger
H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,4-Naphthalenediol, 2-methyl-, diacetate
1,4-Naphthalenediol, 2-methyl-, diacetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesEye Dam. 1 (92.9%)
Safety data
- wgk
- WGK 3
- rtecs
- QJ5250000
- hs_code
- 2936.29.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesVitamin K4, is a chemically synthesized Vitamin K which plays an important role in the normal blood coagulation system.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Acetomenaphthone is a member of naphthalenes.
Related reactions
3 records
Compound notes
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