| Identification | More | [Name]
delta-Dodecalactone | [CAS]
713-95-1 | [Synonyms]
(+/-)-5-DODECANOLIDE
5-HYDROXYDODECANOIC ACID DELTA-LACTONE
(+/-)-6-HEPTYLTETRAHYDRO-2H-PYRAN-2-ONE
D-DODECALACTONE
DELTA-DODECALACTONE
(+/-)-DELTA-DODECANOLACTONE
DELTA-DODECANOLACTONE
(+/-)-DELTA-HEPTYL-DELTA-VALEROLACTONE
DELTA-LAUROLACTONE
DODECALACTONE, DELTA-
DODECANOLACTONE
FEMA 2401
2H-Pyran-2-one, tetrahydro-6-heptyl
5-Hydroxydodecanoic acid, lactone
5-hydroxy-dodecanoicacidelta-lactone
5-hydroxydodecanoicacidlactone
6-heptyltetrahydro-2h-pyran-2-on
beta-Dodecalactone
Dodecan-5-olide
Dodecanoic acid, 5-hydroxy-, delta-lactone | [EINECS(EC#)]
211-932-4 | [Molecular Formula]
C12H22O2 | [MDL Number]
MFCD00006651 | [Molecular Weight]
198.3 | [MOL File]
713-95-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
-12 °C (lit.) | [Boiling point ]
140-141 °C/1 mmHg (lit.) | [density ]
0.942 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.132Pa at 25℃ | [FEMA ]
2401 | [refractive index ]
n20/D 1.460(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Insoluble in water, soluble in alcohol and oils. poorly soluble in Propylene glycol. | [form ]
neat | [pka]
0.001[at 20 ℃] | [color ]
Colorless to Light yellow | [Odor]
at 100.00 %. fresh sweet metallic peach oily coconut buttery | [biological source]
synthetic | [Odor Type]
tropical | [Water Solubility ]
Not miscible or difficult to mix in water. | [JECFA Number]
236 | [BRN ]
1282749 | [Major Application]
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3 | [InChIKey]
QRPLZGZHJABGRS-UHFFFAOYSA-N | [SMILES]
CCCCCCCC1CCCC(=O)O1 | [LogP]
3.48 | [CAS DataBase Reference]
713-95-1(CAS DataBase Reference) | [NIST Chemistry Reference]
2H-Pyran-2-one, 6-heptyltetrahydro-(713-95-1) | [EPA Substance Registry System]
713-95-1(EPA Substance) |
| Safety Data | Back Directory | [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 . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
2
| [RTECS ]
UQ0850000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29322090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Hazardous Substances Data]
713-95-1(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Chemical Properties]
delta-Dodecalactone is a colorless to slightly yellowish liquid
with a powerful fruity, peach-like, and oily odor. It may be produced in the same
way asδ-decalactone. Similarly to δ-decalactone, it is mainly used in cream and
butter flavors. | [Chemical Properties]
Liquid | [Chemical Properties]
δ-Dodecalactone has a powerful, fresh, coconut-fruity, oily odor. On dilution the odor is butter-like. At low levels, it
has a peach-, pear-, plum-like flavor. | [Uses]
delta-Dodecanolactone is used as a :flavoring agent. It is used in daily chemical essence. It is also used in agrochemical, pharmaceutical and dyestuff field. | [Definition]
ChEBI: Xi-5-Dodecanolide is a delta-lactone. | [Synthesis Reference(s)]
Tetrahedron Letters, 25, p. 1159, 1984 DOI: 10.1016/S0040-4039(01)91549-7 | [General Description]
δ-Dodecalactone is a flavor volatile compound mainly found in milk fat. | [Flammability and Explosibility]
Nonflammable | [Biochem/physiol Actions]
Taste at 10 ppm | [Synthesis]
delta-Dodecalactone is produced from 5-Hydroxydodecanoic acid by
Iactonization. | [References]
[1] Journal of Organic Chemistry, 1997, vol. 62, # 8, p. 2633 - 2635
[2] Patent: CN103951642, 2016, B. Location in patent: Paragraph 0032; 0033
[3] Patent: WO2004/78738, 2004, A1. Location in patent: Page 13
[4] Russian Journal of Applied Chemistry, 1997, vol. 70, # 4, p. 621 - 626
[5] Russian Journal of General Chemistry, 2011, vol. 81, # 8, p. 1664 - 1670 |
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