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Home> Hot Product Listed 3   > 3-methyl-oxacyclohexadecan-2-one
513-77-9 structure

3-methyl-oxacyclohexadecan-2-one

CAS No.:513-77-9
Molecular Weight:197.3359
Molecular Formula:C33H36N4O6 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChkey
AYJRCSIUFZENHW-UHFFFAOYSA-L
Canonical Smiles
C(=O)([O-])[O-].[Ba+2]
Properties
Appearance
Clear colorless liquid with a mild ethereal odor
Melting Point
811℃
Solubility
soluble in water
Storage temp
Refrigerator
Safety and Handling
Risk Statements
R22
Safety Statements
S24/25
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 1564
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100000_1000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
C.S.B. GmbH 2013
cfm minerales 2010
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:197.3359g/mol
  • Molecular Formula:C33H36N4O6
  • Exact Mass:197.889985
  • Monoisotopic Mass:197.889985
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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