ChemicalBook--->CAS DataBase List--->104-67-6

104-67-6

104-67-6 Structure

104-67-6 Structure
IdentificationMore
[Name]

Undecan-4-olide
[CAS]

104-67-6
[Synonyms]

1,4-UNDECANOLIDE
4,5-DIHYDRO-5-HEPTYL-2(3H)-FURANONE
4-HYDROXYUNDECANOIC ACID G-LACTONE
4-n-heptyl-4-hydroxybutanoic acid lactone
4-UNDECANOLIDE
5-Heptyldihydro-furanone
ALDEHYDE C-14
FEMA 3091
GAMMA-HEPTYL-GAMMA-BUTYROLACTONE
GAMMA-UNDECALACTONE
GAMMA-UNDECANOLACTONE
G-N-HEPTYLBUTYROLACTONE
G-UNDECALACTONE
PEACH ALDEHYDE
UNDECALACTONE, GAMMA
UNDECAN-4-OLIDE
UNDECANOIC GAMMA-LACTONE
(±)-γ-Undecalactone
(R,S)-5-Heptyl-dihydro-furan-2-one
(RS)-γ-Undecalactone
[EINECS(EC#)]

203-225-4
[Molecular Formula]

C11H20O2
[MDL Number]

MFCD00005405
[Molecular Weight]

184.28
[MOL File]

104-67-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless liquid
[Melting point ]

164~166℃
[Boiling point ]

164-166 °C/13 mmHg (lit.)
[density ]

0.944 g/mL at 20 °C(lit.)
[vapor pressure ]

0.274Pa at 25℃
[FEMA ]

3091
[refractive index ]

n20/D 1.451
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Insoluble in water
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

0.944 (20/4℃)
[Odor]

at 100.00 %. fruity peach creamy fatty lactonic apricot ketonic coconut
[biological source]

synthetic
[Odor Type]

fruity
[Water Solubility ]

158mg/L at 20℃
[JECFA Number]

233
[BRN ]

81943
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
SKIN CONDITIONING - MISCELLANEOUS
FRAGRANCE
[InChI]

1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
[InChIKey]

PHXATPHONSXBIL-UHFFFAOYSA-N
[SMILES]

CCCCCCCC1CCC(=O)O1
[LogP]

3.6 at 25℃
[CAS DataBase Reference]

104-67-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2(3H)-Furanone, 5-heptyldihydro-(104-67-6)
[EPA Substance Registry System]

104-67-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H412
[Precautionary statements ]

P273-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[RTECS ]

YQ2485000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 3
[Toxicity]

The acute oral LD50 in rats was reported as 18.5 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). Fatty infiltration of liver parenchymal cells occurred in rats fed 13-115 mg y-undecalactone for 5-9 days (Shillinger, 1950).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium carbonate-->Methyl acrylate-->1-Octanol-->Undecenoic acid-->BUTTER
[Preparation Products]

Vitamin A-->4-Ketoundecanoicacid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

gamma-Undecanolactone(104-67-6).msds
Questions And AnswerBack Directory
[Description]

GAMMA-UNDECALACTONE  is a flavoring ingredient. It is industrially important flavor compounds that are widely distributed in foods, fruits, and beverages and are used in many fruity aromatic foods and cosmetics. It is often used in peach, apricot, pear, maple, coconut, tropical, butterscotch, grenadine and date flavors. It is also a volatile flavor constituent found in low-fat ice cream.
[References]

  1. https://www.sigmaaldrich.com/catalog/product/aldrich/w309109?lang=en&region=US
  2. https://pubchem.ncbi.nlm.nih.gov/compound/Gamma-undecalactone#section=Top
  3. http://www.thegoodscentscompany.com/data/rw1000822.html
  4. An, J. U., Y. C. Joo, and D. K. Oh. "New biotransformation process for production of the fragrant compound γ-dodecalactone from 10-hydroxystearate by permeabilized Waltomyces lipofer cells. " Applied & Environmental Microbiology 79.8(2013): 2636-2641.
Hazard InformationBack Directory
[Chemical Properties]

gamma-Undecalactone has a strong, fruity odor suggestive of peach (particularly on dilution). It has a pungent and sweet flavor also similar to peach.
[Chemical Properties]

GAMMA-UNDECALACTONE is clear colourless liquid
[Occurrence]

Reported found in hydrolyzed soy protein, butter, peach, apricot and passion fruit. Also reported found in fresh apple, guava fruit, fresh blackberry, heated butter, heated beef fat, ghee, pork fat, yellow passion fruit juice, cooked scented rice, origanum (Spanish) (Coridothymus cap. (L.) Rchb.), mountain papaya, starfruit, plumcot and chicken fat.
[Uses]

4-Undecanolide is used in the study of primary mutagenicity screening of food additives used in Japan.
[Uses]

Traditionally, the bark and leaves of the peach tree have been used as an anthelmintic, an expectorant, an astringent, and a diuretic, as well as to treat insomnia, cough, and constipation. In the 1970s, peach pits (Laetrile) were a popular but unproved treatment for cancer in other countries. Topically, peach is used to treat minor skin disorders such as burns, abrasions, blisters, scratches, eczema, psoriasis, and warts.
[Definition]

ChEBI:Xi-gamma-Undecalactone is a lactone.
[Preparation]

By the action of sulfuric acid on undecylenic acid; also prepared starting form castor oil; from octanol-1 plus methylacrylate with di-ter-butylperoxide; from heptylethylene oxide and sodiomalonic ester.
[Aroma threshold values]

Detection: 60 ppb
[Taste threshold values]

Taste characteristics at 30 ppm: fatty, coconut, creamy, vanilla, nutty, macadamia and peach.
[General Description]

γ-Undecalactone is a volatile flavor constituent found in low-fat ice cream.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Undecan-4-olide(104-67-6)MS
Undecan-4-olide(104-67-6)1HNMR
Undecan-4-olide(104-67-6)13CNMR
Undecan-4-olide(104-67-6)IR1
Undecan-4-olide(104-67-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

gamma-Undecalactone, 98%(104-67-6)
[Alfa Aesar]

gamma-Undecanolactone, 99%(104-67-6)
[Sigma Aldrich]

104-67-6(sigmaaldrich)
[TCI AMERICA]

gamma-Undecanolactone,>98.0%(GC)(104-67-6)
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