Undecanal
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Undecanal
structure -
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CAS No:
112-44-7
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Formula:
C11H22O
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Chemical Name:
Undecanal
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Synonyms:
Undecanal;Hendecanal;Hendecanaldehyde;Undecyl aldehyde;n-Undecyl aldehyde;Undecylic aldehyde;n-Undecanal;Undecanaldehyde;α-Undecanone;1-Undecanal;Undecanylaldehyde;NSC 22578
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CAS No:
Description
Colorless liquid; sweet odor. Soluble in oils and alcohol; insoluble in glycerol and water. Combustible. Undecanal has a sweetish, fatty odor with an orange and rose undertone. It has a characteristic flavor. This chemical tends to polymerize unless tightly sealed.ChEBI: A fatty aldehyde formally arising from reduction of the carboxylic acid group of undecanoic acid. It is a component of essential oils from citrus plants like Citrus reticulata.
Liquid|colourless to slightly yellow liquid/sweet, fatty, floral odour
Undecanal is a saturated fatty aldehyde formally arising from reduction of the carboxylic acid group of undecanoic acid. It is a component of essential oils from citrus plants like Citrus reticulata. It has a role as an antimycobacterial drug, a volatile oil component and a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. It is a tautomer of an undec-1-en-1-ol.
Undecanal Basic Attributes
170.29
170.29
1753213
203-972-6
B6P0A9PSHN
22578
DTXSID4021688
2912190090
Characteristics
17.1
4.3
Liquid
0.8609 g/cm3 @ Temp: 18 °C
-4 °C
101-103 °C @ Press: 10 Torr
205 °F
n 20/D 1.4322(lit.)
Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C)
Store below +30°C.
0.0832mmHg at 25°C
5.94 (vs air)
0.7%(V)
Safety Information
NONH for all modes of transport
1
36/37/38-38
26
YQ1500000
Xi
P264, P273, P280, P302+P352, P321, P332+P313, P362, P501
H315
|Warning|H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501|Aggregated GHS information provided by 1765 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Undecanal Use and Manufacturing
Derived from the hydrogenation of undecyl alcohol or undecanoic acid.
Undecanal is a flavoring agent that is a liquid, colorless or pale yellow, with a sweet odor. it is soluble in most fixed oils, mineral oil, and propylene glycol; insoluble in glycerin. it is obtained by chemical synthesis. it is also termed aldehyde c-11 undecyclic and n-undecyl aldehyde. Perfumery, flavors.
Ion exchange agents
Air care products
1,000,000 - 10,000,000 lb
All other basic organic chemical manufacturing|Undecanal: 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|Fatty Acyls [FA] -> Fatty aldehydes [FA06]
Flavoring Agents
Computed Properties
Molecular Weight:170.29
XLogP3:4.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:9
Exact Mass:170.167065321
Monoisotopic Mass:170.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:89
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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