CAS No.13657-68-6,Germacr-1(10)-ene-5,8-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13657-68-6
Name:	Germacr-1(10)-ene-5,8-dione

Formula:	C₁₅H₂₄O₂
Molecular Weight:	236.354
Synonyms:	6-Cyclodecene-1,4-dione,6,10-dimethyl-3-(1-methylethyl)-, [3S-(3R,6E,10R)]-;Germacr-1(10)-ene-5,8-dione(8CI);(+)-Curdione;(+)-Germacr-1(10)-ene-5,8-dione;
Density:	0.931 g/cm³
Melting Point:	61.5-62.0 °C
Boiling Point:	347.642 °C at 760 mmHg
Flash Point:	130.423 °C
PSA:	34.14000
LogP:	3.55320

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Specification

The Germacr-1(10)-ene-5,8-dione, with the CAS registry number 13657-68-6, is also known as 6-Cyclodecene-1,4-dione,6,10-dimethyl-3-(1-methylethyl)-, (3S,6E,10S)-. This chemical's molecular formula is C₁₅H₂₄O₂ and molecular weight is 236.35. What's more, its systematic name is (3S,6E,10S)-3-Isopropyl-6,10-dimethyl-6-cyclodecene-1,4-dione.

Physical properties of Germacr-1(10)-ene-5,8-dione are: (1)ACD/LogP: 2.931; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.40; (6)ACD/BCF (pH 7.4): 99.40; (7)ACD/KOC (pH 5.5): 936.13; (8)ACD/KOC (pH 7.4): 936.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 69.259 cm³; (15)Molar Volume: 253.781 cm³; (16)Polarizability: 27.456×10^-24cm³; (17)Surface Tension: 29.10 dyne/cm; (18)Density: 0.931 g/cm³; (19)Flash Point: 130.423 °C; (20)Enthalpy of Vaporization: 59.194 kJ/mol; (21)Boiling Point: 347.642 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Germacr-1(10)-ene-5,8-dione: it can be used to produce 8bH-Dihydrocurdione. It will need reagent NaBH₄ and solvent methanol with the reaction time of 3 hours. The yield is about 89%.

Germacr-1(10)-ene-5,8-dione can be used to produce 8bH-Dihydrocurdione

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C/C(=C/CC[C@@H](C(=O)C[C@H]1C(C)C)C)C
(2)Std. InChI: InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t12-,13-/m0/s1
(3)Std. InChIKey: KDPFMRXIVDLQKX-NHFJXKHHSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	414mg/kg (414mg/kg)		"Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 178, 1994.