ChemicalBook CAS DataBase List 2305-05-7

2305-05-7

Name	4-Dodecanolide
CAS	2305-05-7
EINECS(EC#)	218-971-6
Molecular Formula	C12H22O2
MDL Number	MFCD00036499
Molecular Weight	198.3
MOL File	2305-05-7.mol

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

Chemical Properties

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 Data

Symbol(GHS)	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 . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
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 less more

Raw materials And Preparation Products

Hazard Information

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 Detail

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