ChemicalBook--->CAS DataBase List--->104-61-0

104-61-0

104-61-0 Structure

104-61-0 Structure
IdentificationMore
[Name]

gamma-Nonanolactone
[CAS]

104-61-0
[Synonyms]

4-hydroxynonanoic acid gamma-lactone
4-HYDROXYNONANOIC ACID-G-LACTONE
4-NONANOLIDE
ALDEHYDE C-18
FEMA 2781
GAMMA-NONALACTONE
GAMMA-NONANOIC LACTONE
GAMMA-NONANOLACTONE
GAMMA-PELARGONOLACTONE
G-NONALACTONE
NONALACTONE
NONALACTONE,GAMMA-
NONANOIC LACTONE
PRUNOLIDE
(±)-4-n-Pentylbutyrolactone
(R,S)-5-Pentyl-dihydro-furan-2-one
(RS)-γ-Nonalactone
.gamma.-Amylbutyrolactone
1,4-Nonalolide
1,4-nonanolactone
[EINECS(EC#)]

203-219-1
[Molecular Formula]

C9H16O2
[MDL Number]

MFCD00005403
[Molecular Weight]

156.22
[MOL File]

104-61-0.mol
Chemical PropertiesBack Directory
[Boiling point ]

121-122 °C6 mm Hg(lit.)
[density ]

0.976 g/mL at 25 °C(lit.)
[vapor pressure ]

1.9Pa at 25℃
[FEMA ]

2781
[refractive index ]

n20/D 1.447(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Hexanes (Slightly)
[form ]

neat
[color ]

Colourless
[Odor]

at 100.00 %. coconut creamy waxy sweet buttery oily
[biological source]

synthetic
[Odor Type]

coconut
[Water Solubility ]

9.22g/L(25 ºC)
[JECFA Number]

229
[Henry's Law Constant]

1.8×10-1 mol/(m3Pa) at 25℃, Hertel and Sommer (2006)
[Stability:]

Hygroscopic
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

FRAGRANCE
PERFUMING
SKIN CONDITIONING
[InChI]

1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
[InChIKey]

OALYTRUKMRCXNH-UHFFFAOYSA-N
[SMILES]

CCCCCC1CCC(=O)O1
[LogP]

2.5 at 25℃
[Uses]

(Gamma)-Nonalactone is a synthetic flavoring agent that is a colorless to yellow liquid of strong, coconut-like odor. It is soluble in most fixed oils, mineral oil, and propylene glycol. It is stable in acids and unstable in alkali and should be stored in glass, tin, or aluminum containers. It is used in coconut flavors and has application in gelatins, puddings, baked goods, candy, and ice cream at 11–55 ppm. It is also termed aldehyde c-18.
[CAS DataBase Reference]

104-61-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2(3H)-Furanone, dihydro-5-pentyl-(104-61-0)
[EPA Substance Registry System]

104-61-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
[WGK Germany ]

1
[RTECS ]

LU3675000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Moderately toxic by ingestion. A skin irritant. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
[Hazardous Substances Data]

104-61-0(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Triethylamine-->Methyl acrylate-->Malonic acid-->Heptaldehyde-->1-Hexanol-->Manganese triacetate dihydrate-->Y type molecular sieve-->1-Heptene-->nonenoic acid
Questions And AnswerBack Directory
[Description]

Gamma-Nonalactone (5-Pentyloxolan-2-one) is a colorless to pale yellow clear oily liquid. It is found in bourbon whiskey, black currant berries, melon, papaya, pineapple, fresh blackberry, etc.1,2 It has a creamy and coconut-like odor.3 It is used as a flavoring agent in food to give coconut flavor. It is also a potential multi-species attractant lure for grain beetle pests.4
[Reference]

  1. https://en.wikipedia.org/wiki/Gamma-Nonalactone
  2. George A. Burdock, Encyclopedia of Food and Color Additives, Band 1, 1996, ISBN 0-8493-9416-3
  3. http://www.thegoodscentscompany.com
  4. https://www.sigmaaldrich.com
Hazard InformationBack Directory
[Chemical Properties]

gamma-Nonanolactone occurs in many foods and is a pale yellow liquidwith a coconut-like aroma. It has numerous applications, similarly to those of ??-octalactone, in aroma compositions and perfumery.
[Chemical Properties]

γ-Nonalactone has a strong odor reminiscent of coconut and a fatty, peculiar taste.
[Occurrence]

Reported found in peaches, apricots, roasted barely, rum, tomato, currants, guava, raisin, papaya, peach, pineapple, blackberry, strawberry jam, asparagus, wheat and crispbread, Camembert cheese, butter, milk, chicken, beef, lamb and pork fat, cooked beef and pork, beer, cognac, whiskies, sherry, grape wines, cocoa, green tea, pecan, oats, soybean, avocado, passion fruit, plum, plumcot, beans, mushroom, starfruit, fenugreek, mango, tamarind, rice, prickly pear, buckwheat, licorice, malt, wort, cherimoya, Bourbon vanilla, shrimp, nectarine, maté and sweet grass oil.
[Preparation]

By reacting methylacrylate and hexanol in the presence of ditertiarybutyl peroxide; by condensation of undecylenic acid and malonic acid by lactonization of nonenoic acid
[Aroma threshold values]

Detection: 7 ppb
[Taste threshold values]

Taste characteristics at 10 ppm: coconut, creamy, waxy with fatty milky notes
[General Description]

γ-Nonanoic lactone is an oak lactone commonly found in wines aged in oak barrels. It is the main flavor component of coconut. γ-Nonanoic lactone is also a potential multi-species attractant lure for grain beetle pests.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

gamma-Nonanolactone(104-61-0)MS
gamma-Nonanolactone(104-61-0)1HNMR
gamma-Nonanolactone(104-61-0)13CNMR
gamma-Nonanolactone(104-61-0)IR1
gamma-Nonanolactone(104-61-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104-61-0(sigmaaldrich)
[TCI AMERICA]

gamma-Nonanolactone,>98.0%(GC)(104-61-0)
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