Liral
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Liral
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CAS No:
31906-04-4
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Formula:
C13H22O2
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Chemical Name:
Liral
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Synonyms:
3-Cyclohexene-1-carboxaldehyde,4-(4-hydroxy-4-methylpentyl)-;4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde;4-(4-Hydroxy-4-methylpentyl)-3-cyclohexenecarboxaldehyde;4-(4-Methyl-4-hydroxyamyl)cyclohex-3-ene carboxaldehyde;Liral;Landolal;56493-02-8;80449-98-5;1384450-22-9
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CAS No:
Description
Colorless liquid Lyral is a colorless,
viscous liquid with a sweet odor reminiscent of lily of the valley. The aldehyde can
be prepared by a Diels–Alder reaction of myrcenol and acrolein in the presence
of a Lewis catalyst (e.g., zinc chloride).
Reaction ofmyrcenol with acrolein at elevated temperatures, without a catalyst,
yields a 70 : 30 mixture of the 4- and 3-substituted cyclohexene carboxaldehydes
.This mixture is a commercial product. The title compound has excellent
fixative proper
Liquid
Characteristics
37.3
1.7
a colorless thick liquid
0.9941 g/cm3
-30.0 °C
120 °C @ Press: 1 Torr
93 °C
1.528
0.03 M
2-8°C
Safety Information
NONH for all modes of transport
2
GW2850000
P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P501
H317
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1950 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P260, P261, P263, P264, P270, P272, P280, P302+P352, P308+P313, P321, P333+P313, P363, and P501
Liral Use and Manufacturing
In the following a non-limiting list of such aldehydes are given as examples: ... 2, 4-dimethyl-cyclohex-3-ene-1-carbaldehyde*, 1, 3, 5-trimethyl-cyclohex-1-ene-4-carbaldehyde*, 4-(4-hydroxy-4-methylpentyl)-cyclohex-3-ene-1-carbaldehyde*, hex-2-enal*, ...In the glove box, cobalt (II) acetylacetonate (39.0mg), 1, 3-diisopropylimidazole tetrafluoroborate (54.6mg), potassium carbonate (47.1mg) and ethanol(10.0g) Add to a single-mouth bottle with a magnetic stirrer, turn on the stirrer, After the metal precursor and the ligand are dissolved and coordinated for 20 minutes, a catalyst solution is obtained.Seal the single-necked bottle out of the glove box and protect it with a nitrogen balloon. Seal the autoclave, There was no problem with pressure-holding and leak detection. The reactor was replaced 3 times with nitrogen. Feed, First add a solution of activator lithium powder (3.5mg) in ethanol (10.0g) to the reactor using a flat-flow pump, then add the catalyst solution prepared before, and finally add the solvent ethanol (45.0g), Substrate dehydrobellanal (20.434 g). After all the materials have been added, Replace nitrogen with hydrogen three times, 2.0 MPa each time, and finally fill with 3.0 MPa (gauge pressure) of hydrogen. Turn on the autoclave to stir and trace heat. When the internal temperature of the reactor reaches 50 CStart timing, incubate for 5 hours, sample analysis, GC detection, The conversion rate of dehydrobellanal is 99.3%, Lilyanal selectivity was 99.8%.9, 070 g methyl anthranilate solution was mixed with lyral solution in beaker glass. The mixture solution was heated and stirred at temperature about 110 ± 50C for 30 minutes.
It can be used for many fragrances. In a good light floral fragrance, it will not change or weaken. Substituting or sharing with hydroxycitronellal can improve the aroma of lilac, hyacinth, lily of the valley, honeysuckle and so on. In all kinds of soaps, detergents, cosmetic crystals, toiletries and perfume essences of various flowers, it can give unusual floral fragrance, powder fragrance and finish. Can be coordinated with ionone and many fragrance resins.
Odor agents
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-: ACTIVE
Computed Properties
Molecular Weight:210.31
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:210.161979940
Monoisotopic Mass:210.161979940
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:241
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Fragrance, Possible Allergen
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