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112-45-8

112-45-8 Structure

112-45-8 Structure
IdentificationMore
[Name]

10-Undecenal
[CAS]

112-45-8
[Synonyms]

10-UNDECEN-1-AL
10-UNDECEN-1-YL ALDEHYDE
10-UNDECENAL
10-UNDECENYL ALDEHYDE
9-UNDECENAL
ALDEHYDE C11 ENIC/UNDECYLENIC ALDEHYDE
ALDEHYDE C-11 UNDECYLENIC
FEMA 2363
FEMA 3095
HENDECENAL
HENDECENALDEHYDE
INTRELEVEN ALDEHYDE
N-UNDECYLENIC ALDEHYDE
UNDECENAL-10
UNDECYLENIC ALDEHYDE
UNDECYLIC ALDEHYDE
10-Undecylenealdehyde
1-Undecen-10-al
C-11 Aldehyde, undecylenic
c-11aldehyde,undecylenic
[EINECS(EC#)]

203-973-1
[Molecular Formula]

C11H20O
[MDL Number]

MFCD00007032
[Molecular Weight]

168.28
[MOL File]

112-45-8.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Melting point ]

7°C
[Boiling point ]

98-100 °C3 mm Hg(lit.)
[density ]

0.84 g/mL at 25 °C(lit.)
[vapor density ]

>1 (vs air)
[vapor pressure ]

8.7Pa at 25℃
[FEMA ]

3095
[refractive index ]

n20/D 1.4427(lit.)
[Fp ]

199 °F
[storage temp. ]

Refrigerator (+4°C)
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly)
[form ]

Crystals or Crystalline Powder
[pka]

0[at 20 ℃]
[color ]

White
[Specific Gravity]

0.84
[Odor]

at 1.00 % in dipropylene glycol. waxy aldehydic rose mandarin citrus soapy fatty
[biological source]

synthetic
[Odor Type]

aldehydic
[Water Solubility ]

Insoluble
[JECFA Number]

330
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

FRAGRANCE
PERFUMING
[InChI]

1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
[InChIKey]

OFHHDSQXFXLTKC-UHFFFAOYSA-N
[SMILES]

[H]C(=O)CCCCCCCCC=C
[LogP]

4.672 at 25℃
[CAS DataBase Reference]

112-45-8(CAS DataBase Reference)
[NIST Chemistry Reference]

10-Undecenal(112-45-8)
[EPA Substance Registry System]

112-45-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H412
[Precautionary statements ]

P261-P264-P272-P273-P280-P302+P352
[Hazard Codes ]

Xi
[Risk Statements ]

R38:Irritating to the skin.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

NA1993
[WGK Germany ]

2
[RTECS ]

YQ2835000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

CBL
[HS Code ]

29121900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 3
Skin Irrit. 2
Skin Sens. 1B
[Safety Profile]

LOW toxicity by ingestion and skin contact. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
[Toxicity]

rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Undecenoic acid-->Heptaldehyde-->Nonanoic acid-->nonenoic acid
[Preparation Products]

10-UNDECEN-1-OL-->CIS-11-HEXADECENAL-->11-HEXADECYN-1-OL-->Methyl 10-undecenoate-->1,13-Tetradecadien-4-ol
Hazard InformationBack Directory
[Chemical Properties]

10-Undecenal has a characteristic fatty, rose odor on dilution. It has an unpleasant sweet, fatty taste. This compound tends to polymerize.
[Chemical Properties]

10-Undecenal was identified, for example, in coriander leaf extract. It is a colorless liquid with a fatty, green, slightly metallic, heavy, floral odor. The aldehyde can be synthesized from undecylenic acid, for example, by hydrogenation of the acid chloride (Rosenmund reduction) or by reaction with formic acid in the vapor phase in the presence of titanium dioxide. In perfumery, 10-undecenal is one of the aldehydes essential for creating the “aldehydic note.”
Mixtures containing undecenals with the double bond in other positions (9-, 8-, 7-) are also marketed and used in fragrances, for example, Aldehyde C11 Iso (Givaudan), Intreleven aldehyde (IFF).
[Chemical Properties]

Clear colorless liquid
[Occurrence]

Reported found in coriander leaf (Coriandrum sativum L.).
[Uses]

10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.
[Definition]

ChEBI: 10-undecenal is an undecenal.
[Preparation]

By oxidation of the corresponding alcohol or reduction of the corresponding acid; by passing vapors of formic acid and undecylenic acid over TiO2 at 250°C under pressure; by passing vapors of undecylenic acid and methanol over a manganese dioxidebased catalyst; or by reduction of ethyl undecylenate with lithium hydride and sodium in tetrahydrofuran solution at very low temperature (–50°C).
[Taste threshold values]

Taste characteristics at 2.5 ppm: fatty, oily and aldehydic with a mandarin, citrus nuance.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 47, p. 4534, 1982 DOI: 10.1021/jo00144a026
Synthetic Communications, 12, p. 839, 1982 DOI: 10.1080/00397918208065961
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

10-Undecenal(112-45-8)MS
10-Undecenal(112-45-8)1HNMR
10-Undecenal(112-45-8)13CNMR
10-Undecenal(112-45-8)IR1
10-Undecenal(112-45-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Undecylenic aldehyde, 97%(112-45-8)
[Sigma Aldrich]

112-45-8(sigmaaldrich)
[TCI AMERICA]

10-Undecenal,>94.0%(GC)(112-45-8)
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