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31717-87-0

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Basic Information
CAS No.: 31717-87-0
Name: 4-Cyclododecyl-2,6-dimethylmorpholine acetate
Molecular Structure:
Molecular Structure of 31717-87-0 (4-Cyclododecyl-2,6-dimethylmorpholine acetate)
Formula: C18H35NO.C2H4O2
Molecular Weight: 342.61
Synonyms: 4-Cyclododecyl-2,6-dimethylmorpholine acetate; Cyclododecyl-2,6-dimethylmorpholine acetate
EINECS: 250-778-2
Density: g/cm3
Boiling Point: 372.1°Cat760mmHg
Flash Point: 109.7°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 58.56000
LogP: 5.09400
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Chemistry

IUPAC Name: 4-cyclododecyl-2,6-dimethylmorpholine acetate 
Molecular Formula: C20H38NO3
Molecular Weight: 340.52062 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 340.285169
MonoIsotopic Mass: 340.285169
Topological Polar Surface Area: 52.6
Heavy Atom Count: 24
Formal Charge: -1
Complexity: 259
Canonical SMILES: CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)[O-]
InChI: InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-
9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)/p-1
InChIKey: YLJLLELGHSWIDU-UHFFFAOYSA-M
Structure of 4-Cyclododecyl-2,6-dimethylmorpholine acetate (CAS NO.31717-87-0):

 

Toxicity Data With Reference

1.    

orl-rat LD50:2500 mg/kg

     DOVEAA    Defense des Vegetaux. 27 (1973),144.
2.    

ipr-mus LD50:320 mg/kg

     GUCHAZ    Guide to the Chemicals Used in Crop Protection 6 (1973),244.

Safety Profile

RIDADR: 2588
HazardClass: 6.1(b)
PackingGroup: III
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

  4-Cyclododecyl-2,6-dimethylmorpholine acetate , its cas register number is 31717-87-0. It also can be called 
acetatededodemorphe ; bas2382f ; bas238f ; basfmehltaumittel ; cyclomorph ; dodemorfe ; mehltaumittel .4-Cyclododecyl-2,6-dimethylmorpholine acetate (CAS NO.31717-87-0) is moderately toxic by ingestion. When heated to decomposition it emits toxic fumes