User:Kesarin aroma

Kesarin

Cadwallader ^[1], et.al., in 1997 reported on the aroma dilution analysis of saffron volatiles and found that a minor component, 2-Hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one (also isolated by Tarantilis and Polissiou from steam distillation of Greek red saffron), was the most powerful aroma constituent of saffron, followed by safranal. Its odor was descibed as "saffron, dried hay like". Interestingly, 2-Hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one is also the unique pheromone from the bark beetle, Ips pini known as Lanierone (Teale ^[2], et. al.).

_{2-Hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one
Aroma: saffron, dried hay like.

Kesarin-3D
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Physico Chemical Properties
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Chemical Formula:
C9H12O2

Exact Mass:
152.08373

Molecular Weight:
152.19038

m/z:
152.08 (100.0%), 153.09 (9.9%)

Elemental Analysis:
C, 71.03; H, 7.95; O, 21.03

Boiling Point:
593.59 [K]

Melting Point:
377.57 [K]

Critical Temp:
756.8 [K]

Critical Pres:
36.16 [Bar]

Critical Vol:
468.5 [cm3/mol]

Gibbs Energy:
174.89 [kJ/mol]

Log P:
0.72

MR:
46.01 [cm3/mol]

Henry's Law:
6.43

Heat of Form:
356.84 [kJ/mol]

tPSA:
37.3

CLogP:
2.207

CMR:
4.4642

Author info
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Subhash; Nalini and Shriram.

References
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^ Cadwallader, K.R.; Back, H.H.; Cai, M.; ACS Symposium Series, No. 166 (Spices), American Chemical Society, Pub., Washington DC, 1997, pp.66-79.

^ Teale; Stephen A.; Webster; Francis X.; Zhang; Aijun, New aggregation pheromone for the bark beetle Ips pini and uses thereof , United States Patent 5,167,955, December 1, 1992}

[1] Cadwallader, K.R.; Back, H.H.; Cai, M.; ACS Symposium Series, No. 166 (Spices), American Chemical Society, Pub., Washington DC, 1997, pp.66-79.

[2] Teale; Stephen A.; Webster; Francis X.; Zhang; Aijun, New aggregation pheromone for the bark beetle Ips pini and uses thereof , United States Patent 5,167,955, December 1, 1992

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