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Undecanal

Undecanal structure

CAS No:
112-44-7
Formula:
C11H22O
Chemical Name:
Undecanal
Synonyms:
Undecanal;Hendecanal;Hendecanaldehyde;Undecyl aldehyde;n-Undecyl aldehyde;Undecylic aldehyde;n-Undecanal;Undecanaldehyde;α-Undecanone;1-Undecanal;Undecanylaldehyde;NSC 22578
Categories:
Cosmetic Ingredient > Perfuming

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

Molecular Weight：

170.29

Exact Mass：

170.29

BRN：

1753213

EC Number：

203-972-6

UNII：

B6P0A9PSHN

NSC Number：

22578

DSSTox ID：

DTXSID4021688

HScode：

2912190090

Characteristics

PSA：

17.1

XLogP3：

4.3

Appearance：

Liquid

Density：

0.8609 g/cm³ @ Temp: 18 °C

Melting Point：

-4 °C

Boiling Point：

101-103 °C @ Press: 10 Torr

Flash Point：

205 °F

Refractive Index：

n 20/D 1.4322(lit.)

Water Solubility：

Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.0832mmHg at 25°C

Vapor Density：

5.94 (vs air)

Explosive limit：

0.7%(V)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-38

safety instructions：

RTECS Number：

YQ1500000

Marks：

Precautionary statement(s)：

P264, P273, P280, P302+P352, P321, P332+P313, P362, P501

Hazard Statements：

H315

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

undecanal

Undecanal Use and Manufacturing

Methods of Manufacturing

Derived from the hydrogenation of undecyl alcohol or undecanoic acid.

Uses

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

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Undecanal: ACTIVE

Use Classification：

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]

Food Additive Classes：

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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Guide of Undecanal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Undecanal

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