δ-Damascone
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δ-Damascone
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CAS No:
57378-68-4
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Formula:
C13H20O
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Chemical Name:
δ-Damascone
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Synonyms:
2-Buten-1-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-;1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one;δ-Damascone;1-(2,6,6-Trimethyl-3-cyclohexenyl)-2-buten-1-one
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CAS No:
Description
Delta Damascone is a colorless to slightly
yellow liquid with a very diffusive, fruity blackcurrant odor.
Thematerial is prepared by Diels–Alder reaction of 1,3-pentadiene andmesityl
oxide and subsequent aldol condensation of the resulting acetyl trimethyl cyclohexene
with acetaldehyde. Due to its excellent substantive properties, ??-
damascone is mainly used in perfumes for fabric care products.
Safety Information
UN 3082 9 / PGIII
EN0339000
P273-P280-P301 + P312 + P330-P333 + P313-P391-P501
H302-H315-H317-H410
|Warning|H302 (63.69%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 168 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
δ-Damascone Use and Manufacturing
It is obtained from the condensation of isopropylidene acetone and 1, 3-pentene under the catalysis of aluminum chloride, and then reacts with ethylmagnesium bromide and acetaldehyde to produce alcohol ketones, which are then dehydrated under acidic catalysts.
GB 2760-1996 stipulates that it is temporarily allowed to use food spices.
2-Buten-1-one, 1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel-: ACTIVE
Computed Properties
Molecular Weight:192.30
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:192.151415257
Monoisotopic Mass:192.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:271
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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