CAS No.11042-64-1,gamma-Oryzanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	11042-64-1
Name:	gamma-Oryzanol

Formula:	C₄₀H₅₈O₄
Molecular Weight:	602.98
Synonyms:	Gamma oryzanol;Oryzanol;CCRIS 4251;Gammariza;HI-Z;OZ;Oliver;UNII-SST9XCL51M;9,19-Cyclo-9beta-lanost-24-en-3beta-ol 4-hydroxy-3-methoxycinamate;
EINECS:	244-285-1
Density:	1.1 g/cm³
Melting Point:	135-137 ºC
Boiling Point:	663.2 ºC at 760 mmHg
Flash Point:	193.8 ºC
Solubility:	soluble in acetone, chloroform; sparingly soluble in ethanol and n-heptane; insoluble in water
Appearance:	White or white crystalline powder, odourless
PSA:	55.76000
LogP:	10.14740

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Specification

The γ-Oryzanol, with the CAS registry number 11042-64-1, has the product categories which are including Aromatic Esters; Nutritional Supplements. Besides, it is usually applied in curing many diseases, such as periodic psychosis, premenstrual tension, women's Menopause Syndrome, vascular headache, and dysfunction of autonomic nervoussystem.

The characteristics of this chemical are as below: (1)ACD/LogP: 12.85; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.85; (4)ACD/LogD (pH 7.4): 12.85; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 44.76; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 178.62 cm³; (11)Molar Volume: 544.6 cm³; (12)Polarizability: 70.81×10^-24 cm³; (13)Surface Tension: 46.2 dyne/cm; (14)Density: 1.1 g/cm³; (15)Flash Point: 193.8 °C; (16)Enthalpy of Vaporization: 101.08 kJ/mol; (17)Boiling Point: 663.2 °C at 760 mmHg; (18)Vapour Pressure: 3.38E-18 mmHg at 25°C; (19)Exact Mass: 602.43351; (20)MonoIsotopic Mass: 602.43351; (21)Topological Polar Surface Area: 55.8; (22)Heavy Atom Count: 44; (23)Complexity: 1150.

In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
(2)Isomeric SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C
(3)InChI: InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
(4)InChIKey: FODTZLFLDFKIQH-FSVGXZBPSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 5gm/kg (5000mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 6, Pg. 2401, 1978.
guinea pig	LD50	skin	100mg/kg (100mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 7, Pg. 1295, 1979.
mouse	LD	intramuscular	> 500mg/kg (500mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2781, 1973.
mouse	LD	intraperitoneal	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2781, 1973.
mouse	LD	subcutaneous	> 2500mg/kg (2500mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2781, 1973.
mouse	LD50	intravenous	811mg/kg (811mg/kg)		Drugs in Japan Vol. -, Pg. 297, 1995.
mouse	LD50	oral	> 25gm/kg (25000mg/kg)		Drugs in Japan Vol. -, Pg. 297, 1995.
rabbit	LD	oral	> 5gm/kg (5000mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 6, Pg. 2401, 1978.
rabbit	LD	subcutaneous	> 2500mg/kg (2500mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 6, Pg. 2401, 1978.
rat	LD	intramuscular	> 500mg/kg (500mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2781, 1973.
rat	LD	subcutaneous	> 1gm/kg (1000mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2781, 1973.
rat	LD50	intravenous	382mg/kg (382mg/kg)		Drugs in Japan Vol. -, Pg. 297, 1995.
rat	LD50	oral	> 25gm/kg (25000mg/kg)		Drugs in Japan Vol. -, Pg. 297, 1995.
rat	LD50	skin	100mg/kg (100mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 7, Pg. 1295, 1979.
rat	LDLo	intraperitoneal	1250mg/kg (1250mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2781, 1973.