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ChemicalBook--->CAS DataBase List--->705-86-2

705-86-2

705-86-2 Structure

705-86-2 Structure
IdentificationMore
[Name]

5-Decanolide
[CAS]

705-86-2
[Synonyms]

(+/-)-5-DECANOLIDE
5-HYDROXYDECANOIC ACID BETA1 LACTONE
5-HYDROXYDECANOIC ACID DELTA-LACTONE
(+/-)-6-PENTYLTETRAHYDRO-2H-PYRAN-2-ONE
AMYL-DELTA-VALEROLACTONE
D-DECALACTONE
DELTA-CAPRINOLACTONE
DELTA-DECALACTONE
DELTA-DECANOLACTONE
(+/-)-DELTA-PENTYL-DELTA-VALEROLACTONE
FEMA 2361
.delta.-Decanolide
2H-Pyran-2-one, tetrahydro-6-pentyl-
5-decanolide (delta-decalactone)
5-Pentyl-5-pentanolide
AI3-36028
-decalactone
Decanoic acid, 5-hydroxy-, delta-lactone
Decanolide-1,5
delta-Amylvalerolactone
[EINECS(EC#)]

211-889-1
[Molecular Formula]

C10H18O2
[MDL Number]

MFCD00006649
[Molecular Weight]

170.25
[MOL File]

705-86-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow oily liquid
[Melting point ]

-27 °C (lit.)
[alpha ]

0°(neat)
[Boiling point ]

117-120 °C/0.02 mmHg (lit.)
[density ]

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

0.63Pa at 25℃
[FEMA ]

2361
[refractive index ]

n20/D 1.458(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Oil
[color ]

Clear Colourless
[Specific Gravity]

0.9720.954
[Odor]

at 100.00 %. fresh sweet oily coconut fruity peach creamy dairy
[biological source]

synthetic
[Odor Type]

coconut
[Water Solubility ]

Soluble in water (4 mg/ml at 28°C), alcohols, and propylene glycol.
[JECFA Number]

232
[BRN ]

117520
[InChIKey]

GHBSPIPJMLAMEP-UHFFFAOYSA-N
[LogP]

3.016 at 25℃
[CAS DataBase Reference]

705-86-2(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Hydroxy decanoic acid, lactone(705-86-2)
[EPA Substance Registry System]

705-86-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

1
[RTECS ]

UQ1355000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29322090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Decanoic acid
Hazard InformationBack Directory
[Chemical Properties]

5-Decanolide is a flavor constituent of many types of fruit, cheese, and other dairy products. It is a colorless, viscous liquid with a creamy-coconut, peach-like aroma.
[Chemical Properties]

clear colorless to light yellow oily liquid
[Chemical Properties]

δ-Decalactone has an oily, peach odor and taste.
[Occurrence]

Reported found in rum, coconut, raspberry, apricot, bilberry, peach, strawberry, Swiss cheese, other cheeses, butter, milk, milk powder, mutton fat, mango and nectarine.
[Uses]

Used in pharmaceutical preparations, feed additive, flavorings agent. Also used by food and flavor industries for its coconut fragrance and taste. It is also used as a reagent in the synthesis of (±)-Massoilactone (M197600); a chemical component with antibacterial activity found in volatile oils.
[Definition]

ChEBI: A delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6.
[Preparation]

δ-Decalactone can be prepared by peracid oxidation of 2-pentylcyclopentanone. (R)-δ-decalactone is obtained in high optical purity by starting from (R)-2- pentylcyclopentanone . Hydrogenation or fermentation of massoia lactone is also a practicable method to produce this enantiomer.
A newer development for the preparation ofδ-decalactone describes a carboxylation of 1-nonen-4-ol with carbon monoxide in the presence of a homogenous palladium catalyst in an aqueous system.
[Aroma threshold values]

Detection: 100 ppb
[Taste threshold values]

Taste characteristics at 2 ppm: waxy, coconut, lactonic, fatty, creamy, nutty and fruity.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 55, p. 462, 1990 DOI: 10.1021/jo00289a016
[General Description]

Measurement of optical rotatory dispersion and circular dichroism of (+) 5-decanolide (tetrahydro-6-pentyl-2H-pyran-2-one) has been reported.
[Flammability and Explosibility]

Notclassified
[Synthesis]

From hexylethylene oxide and sodium malonic ester; also from decanoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Decanolide(705-86-2)MS
5-Decanolide(705-86-2)1HNMR
5-Decanolide(705-86-2)13CNMR
5-Decanolide(705-86-2)IR1
5-Decanolide(705-86-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

delta-Decanolactone, 97%(705-86-2)
[Sigma Aldrich]

705-86-2(sigmaaldrich)
[TCI AMERICA]

delta-Decanolactone,>97.0%(GC)(705-86-2)
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