CAS No.130-01-8,SENECIONINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	130-01-8
Name:	SENECIONINE
Article Data:	7
Cas Database

Formula:	C18H25 N O5
Molecular Weight:	335.4
Synonyms:	Senecionan-11,16-dione,12-hydroxy-; Senecionine (6CI,7CI,8CI); (-)-Senecionine; Aureine; NSC 89935;Senecionin; [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-,[5R-(3Z,5R,6R,14aR,14bR)]-
Density:	1.25g/cm³
Melting Point:	236 ºC(lit.)
Boiling Point:	563.7°Cat760mmHg
Flash Point:	294.7°C
Hazard Symbols:	T
Risk Codes:	25
Safety:	Poison by intravenous, intraperitoneal, and possibly other routes. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	76.07000
LogP:	1.13070

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Chemistry

Molecular Weight: 335.3948 g/mol
Molecular Formula: C₁₈H₂₅NO₅
Density: 1.25 g/cm³
Melting Point: 236 °C
Boiling Point: 563.7 °C at 760 mmHg
Flash Point: 294.7 °C
Vapour Pressure: 4.68E-15 mmHg at 25°C
Index of Refraction: 1.57
Molar Refractivity: 87.7 cm³
Molar Volume: 267.1 cm³
Polarizability: 34.76*10^-24cm³
Surface Tension: 51.2 dyne/cm
Enthalpy of Vaporization: 97.33 kJ/mol
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 6
MonoIsotopic Mass: 335.173273
Topological Polar Surface Area: 76.1
Heavy Atom Count: 24
Complexity: 611
Isomeric SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
InChI: InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
InChIKey: HKODIGSRFALUTA-JTLQZVBZSA-N
Storage temp.: −20°C

Toxicity Data With Reference

1.	sln-dmg-par 20 µmol/L	ZEVBA5 Zeitschrift fuer Verebungslehre. 91 (1960),74.
2.	dns-rat:lvr 700 nmol/L	CNREA8 Cancer Research. 45 (1985),3125.
3.	dnd-mus-ipr 90 mg/kg	TOXID9 Toxicologist. 1 (1981),42.
4.	ipr-rat LDLo:33 mg/kg	CBINA8 Chemico-Biological Interactions. 12 (1976),299.
5.	ivn-rat LD50:41,200 µg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 87 (1946),382.
6.	unr-rat LD50:40 mg/kg	CNREA8 Cancer Research. 28 (1968),2237.
7.	ivn-mus LD50:64 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 75 (1942),69.
8.	ivn-ham LD50:61 mg/kg	RETOAE Research Today. 5 (1949),53.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intravenous, intraperitoneal, and possibly other routes. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Toxic T
Risk Statements: 25
R25: Toxic if swallowed
Safety Statements: 45
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: VT5710000
F: 10-23
HazardClass: 6.1(a)
PackingGroup: II

Specification

The synonyms of Aureine (CAS NO.130-01-8) is (15cis)-12-Hydroxysenecionan-11,16-dione ;12-Hydroxysenecionan-11,16-dione ; 16-dione,12-hydroxy-senecionan-1 ; Sencionine ; Senecionan-11,16-dione, 12-hydroxy- ; Senecionin ; Senecionine . Aureine (CAS NO.130-01-8) is high toxic. It can produce toxic nitrogen oxide fumes when burning. So the storage environment should be ventilate, low-temperature and dry. Keep Aureine (CAS NO.130-01-8) separate from raw materials of food.