Triplal
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Triplal
structure -
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CAS No:
68039-49-6
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Formula:
C9H14O
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Chemical Name:
Triplal
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Synonyms:
3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-;2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde;2,4-Dimethyl-3-cyclohexenecarboxaldehyde;Tripral;2,4-Dimethyl-3-cyclohexenylcarbaldehyde;Cyclal C;Tricyclal;Triplal;Ligustral;Zestover;(Z)-Vertocitral C;Nvzhenquan;2,4-Dimethylcyclohex-3-ene-1-carbaldehyde;2,4-Dimethyl-cyclohex-3-enecarbaldehyde;333401-53-9;144046-32-2;196966-17-3;234439-30-6
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CAS No:
Description
2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE is prepared as a mixture of its cis- and trans-isomers by a Diels–Alder reaction of 2-methyl-1,3-pentadiene and acrolein. It is a liquid with a strongly green, slightly herbaceous, citrus note. It is used for perfuming cosmetic preparations as well as household products.
Liquid
Characteristics
17.1
2.67
colorless or very pale yellow liquid
1.0±0.1 g/cm3
85-90 °C
113-115 °C @ Press: 31 Torr
151 °F
1.512
Safety Information
NA 1993 / PGIII
2
P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 2358 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Triplal Use and Manufacturing
Used for flavoring
Odor agents
Air care products
1,000,000 - 10,000,000 lb
All other chemical product and preparation manufacturing|3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-: ACTIVE|3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Cosmetics -> Tonic
Computed Properties
Molecular Weight:138.21
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:138.104465066
Monoisotopic Mass:138.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:158
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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