Cuminaldehyde
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Cuminaldehyde
structure -
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CAS No:
122-03-2
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Formula:
C10H12O
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Chemical Name:
Cuminaldehyde
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Synonyms:
Benzaldehyde,4-(1-methylethyl)-;Benzaldehyde,p-isopropyl-;4-(1-Methylethyl)benzaldehyde;Cumaldehyde;Cumic aldehyde;Cuminal;Cuminic aldehyde;p-Isopropylbenzaldehyde;Cuminaldehyde;4-Isopropylbenzaldehyde;Cuminyl aldehyde;p-Cumic aldehyde;p-Isopropylbenzenecarboxaldehyde;NSC 4886;4-Isopropylphenylcarboxaldehyde;4-(Propan-2-yl)benzaldehyde;4-i-Propylbenzaldehyde
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CAS No:
Description
Cuminaldehyde is the major component of Cuminum cyminum, a natural aldehyde with inhibitory effect on alpha-synuclein fibrillation and cytotoxicity. Cuminaldehyde shows anticancer activity[1].
Liquid|colourless to pale yellow liquid with a strong, pungent, spicy, green, herbaceous odour
Cuminaldehyde is a member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities. It has a role as an insecticide, a volatile oil component and a plant metabolite. It derives from a hydride of a cumene.
Characteristics
17.1
2.62250
Clear colorless to yellow Liquid
0.9799 g/cm3 @ Temp: 30 °C
97 °C
235.5 °C
200 °F
1.537
H2O: insoluble ;ethanol: soluble 1mL/4ML, clear, colorless (70%)
Store below +30°C.
0.0482mmHg at 25°C
Safety Information
I; II; III
NONH for all modes of transport
2
22-36/37/38
26-36-37/39
CU7000000
Xn,Xi
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (99.94%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 1757 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501
Cuminaldehyde Use and Manufacturing
It is obtained by co-heating the aqueous or alcoholic solution of p-cumyl chloride and urotropine.
Aldehyde synthesis incense branch. Mainly used as a blending fragrance of imaginary flavors. It is also a raw material for synthesis of cyclamen aldehyde.
Fragrance Ingredients
Air care products
500,000 - 1,000,000 lb
All other basic organic chemical manufacturing|Benzaldehyde, 4-(1-methylethyl)-: 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|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:148.20
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:148.088815002
Monoisotopic Mass:148.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Not yet clear
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