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2305-05-7

2305-05-7 Structure

2305-05-7 Structure
IdentificationMore
[Name]

4-Dodecanolide
[CAS]

2305-05-7
[Synonyms]

(+/-)-4-DODECANOLIDE
4-DODECANOLIDE
5-OCTYL-BUTYROLACTONE
(+/-)-DIHYDRO-5-OCTYL-2(3H)-FURANONE
DODECALACTONE, GAMMA-
DODECANYL-LACTONE
FEMA 2400
GAMMA-DODECALACTONE
GAMMA-DODECANOLACTONE
GAMMA-LAUROLACTONE
(+/-)-GAMMA-OCTYL-GAMMA-BUTYROLACTONE
G-DODECALACTONE
2-(3H)-Furanone, 5-octyldihydro-
2(3H)-Furanone, dihydro-5-octyl-
4-Hydroxydodecanoic acid lactone
4-Hydroxydodecanoic acid, gamma-lactone
5-Octyldihydro-2(3H)-furanone
dihydro-5-octyl-2(3h)-furanon
dodecalactone
Dodecanoic acid, 4-hydroxy-, gamma-lactone
[EINECS(EC#)]

218-971-6
[Molecular Formula]

C12H22O2
[MDL Number]

MFCD00036499
[Molecular Weight]

198.3
[MOL File]

2305-05-7.mol
Chemical PropertiesBack Directory
[Melting point ]

17-18 °C(lit.)
[Boiling point ]

130-132 °C1.5 mm Hg(lit.)
[density ]

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

7.3hPa at 20℃
[FEMA ]

2400
[refractive index ]

n20/D 1.452(lit.)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

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

Oil
[color ]

Colourless
[Specific Gravity]

0.94
[Odor]

at 100.00 %. fatty peach sweet metallic fruity
[biological source]

synthetic
[Odor Type]

fruity
[Water Solubility ]

60mg/L at 20℃
[JECFA Number]

235
[BRN ]

126680
[Henry's Law Constant]

3.7×101 mol/(m3Pa) at 25℃, Abney (2021)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
[InChIKey]

WGPCZPLRVAWXPW-UHFFFAOYSA-N
[SMILES]

CCCCCCCCC1CCC(=O)O1
[LogP]

2.7 at 20℃
[CAS DataBase Reference]

2305-05-7(CAS DataBase Reference)
[NIST Chemistry Reference]

«GAMMA» dodecalactone(2305-05-7)
[EPA Substance Registry System]

2305-05-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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 .
[WGK Germany ]

2
[RTECS ]

LU3600000
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

skn-rbt 500 mg/24H MOD FCTXAV 14,751,76
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl acrylate-->Dodecanoic acid-1-13C
Hazard InformationBack Directory
[Chemical Properties]

γ-Dodecalactone has a fatty, peachy, somewhat musky odor and buttery, peach-like flavor
[Occurrence]

Reported found in apricot, cooked pork, milk products, peach, bilberry, guava fruit, papaya, pineapple, fresh blackberry, strawberry, celery leaves and stalks, celery root, blue cheeses, cheddar cheese, Swiss cheese, meats, beer, rum, mushrooms, plum brandy, quince, chervil, naranjilla fruit and other natural sources
[Uses]

4-Dodecanolide was one of the organic compounds from meat charbroiling operations studied.
[Definition]

ChEBI: Xi-Dihydro-5-octyl-2(3H)-furanone is a gamma-lactone.
[Preparation]

From 1-dodecen-12-oic acid with H2SO4 at 90°C; from 4-hydroxydodecanoic acid by lactonization; also from methylacrylate and octanol
[Aroma threshold values]

Detection: 7 ppb; aroma characteristics at 1.0%; sweet, creamy, fruity peach and apricot, lactonic, with dairy waxy and fatty nuances.
[Taste threshold values]

Taste characteristics at 1 to 10 ppm: sweet, fruity peach, milky fatty and waxy with a pulpy fruity mouthfeel.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 108, p. 3745, 1986 DOI: 10.1021/ja00273a032
Organic Syntheses, Coll. Vol. 7, p. 400, 1990
[Safety Profile]

A skin irritant. When heated todecomposition it emits acrid smoke and irritating vapors
Spectrum DetailBack Directory
[Spectrum Detail]

4-Dodecanolide(2305-05-7)1HNMR
4-Dodecanolide(2305-05-7)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2305-05-7(sigmaaldrich)
[TCI AMERICA]

gamma-Dodecanolactone,>95.0%(GC)(2305-05-7)
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