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3025-30-7

3025-30-7 Structure

3025-30-7 Structure
IdentificationBack Directory
[Name]

FEMA 3148
[CAS]

3025-30-7
[Synonyms]

FEMA 3148
PEAR ESTER
(2E,4Z)-PEAR ESTER
ETHYL-2,4-DECADIENOAT
ETHYL 2,4-DECADIENOATE
ETHYL T2 C4 DECADIENOATE
E,Z-Ethyl2,4-decadienoate
ETHYL (2E,4Z)-DECADIENOATE
2,4-DECADIENSUREETHYLESTER
ethyl(e,z)-2,4-decadienoate
Ethyl (E,Z)-2,4-decadienoate
Ethyl 2,4 (E,Z)-decadienoate
Ethyl-(2E,4Z)-2,4-decadienoat
ethyl (2E,4Z)-2,4-decadienoate
Ethyl (2E,4E)-2,4-decadienoate
ethyl (E)-2,(Z)-4-decadienoate
Ethyl tran-2-cis-4-decadienoate
ETHYL 2-TRANS-4-CIS-DECADIENOATE
ETHYL TRANS-2,CIS-4-DECADIENOATE
2,4-DECADIENOIC ACID ETHYL ESTER
ETHYL TRANS-2-CIS-4-DECANDIENOATE
ethylester,(e,z)-4-decadienoicacid
4-Decadienoicacid,ethylester,(E,Z)-2
(E,Z)-2,4-Decadienoic acid ethyl ester
ETHYL TRANS-2-CIS-4-DECADIENOATE 85+%&
trans,cis-deca-2,4-dienoicacidethylester
(2E,4Z)-2,4-Decadienoic acid ethyl ester
2,4-Decadienoic acid, ethyl ester, (E,Z)-
2,4-Decadienoic acid, ethyl ester, (2E,4Z)-
ethyltrans-2-cis-4-decandienoate,mixtureofisomers
ethyl-(E,Z)-2,4-decadienoate,ethyl-(2E,4Z)-decadienoate
Ethyl 2-trans-4-cis-decandienoate,97%,stabilized, mixture of isomers
Ethyl 2-trans-4-cis-decandienoate, stabilized, mixture of isomers, 97%
ETHYL TRANS-2-CIS-4-DECANDIENOATE, 97%, STABILIZED, MIXTURE OF ISOMERS
Ethyl trans-2-cis-4-decandienoate, stabilized, mixture of isomers, 97%
Ethyl 2-trans-4-cis-decadienoate technical, >=97.0% (sum of isomers, GC)
[EINECS(EC#)]

221-178-8
[Molecular Formula]

C12H20O2
[MDL Number]

29161995
[MOL File]

3025-30-7.mol
[Molecular Weight]

196.29
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellowish liquid
[Melting point ]

-60 °C
[Boiling point ]

70-72 °C0.05 mm Hg(lit.)
[density ]

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

1.6hPa at 21.1℃
[FEMA ]

3148
[refractive index ]

n20/D 1.486(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

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

neat
[color ]

Colourless
[Odor]

at 10.00 % in dipropylene glycol. green waxy pear apple sweet fruity tropical
[biological source]

synthetic
[Odor Type]

green
[JECFA Number]

1192
[BRN ]

1724176
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

SKIN PROTECTING
SKIN CONDITIONING
[InChI]

1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+
[InChIKey]

OPCRGEVPIBLWAY-QNRZBPGKSA-N
[SMILES]

[H]\C(CCCCC)=C([H])\C([H])=C\C(=O)OCC
[LogP]

4.1-4.7 at 35℃ and pH7
[EPA Substance Registry System]

2,4-Decadienoic acid, ethyl ester, (2E,4Z)- (3025-30-7)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellowish liquid
[Occurrence]

Reported found in Bartlett pears, apple, grape, durian (Durio zibethinus), pear brandy, quince and spineless monkey orange (Strychnos madagasc).
[Uses]

Potential applications include the profile enhancement of guava, melon, pear, apple, banana, kiwi, grape, golden delicious apple, fruit cocktail juices, fruit nectar, mamey and other tropical backgrounds.
[Definition]

ChEBI: Ethyl (2E,4Z)-deca-2,4-dienoate is a fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (2E,4E)-deca-2,4-dienoic acid with the hydroxy group of ethanol. It has a role as a plant metabolite, a flavouring agent, a fragrance and a kairomone. It is functionally related to a (2E,4E)-deca-2,4-dienoic acid.
[Production Methods]

Stillingia oil is one of the fruits of the tallow tree native to China (Stillingia sebifera or Sapium sepiferum, Euphorbiaceae) vegetable fat. It contains about 5% of DDS in the form of glycerides by weight. Ethyl 2-trans-4-cis-decadienoate (DDSE) can be obtained from this by base-catalyzed transesterification with ethanol; however, in food law, this is not a natural process, so the product obtained cannot be called a natural flavouring.
A mixture of Stillingia oil (5 kg), natural ethanol (1.0 kg) and Novozym 435 (1.0 kg) was overlaid with nitrogen in a 20-liter glass vessel at 45 ° C and slowly stirred. The vessel was fitted with a water cooler to prevent losses and minimize evaporation. The approach was cancelled after an incubation period of 2 to 3 each Day. The filtered enzyme was added with fresh Stillingia oil and natural ethanol, and stirring was continued. All 10 cycles were performed, the content of Ethyl 2-trans-4-cis-decadienoate from the individual filtrates varied between 4.0 and 4.7% by weight.
[Aroma threshold values]

Detection: 100 ppb. Aroma characteristics at 1.0%: sweet ripe pear, creamy and slightly fatty with fruity, green, waxy apple, fleshy nuances
[Taste threshold values]

Taste characteristics at 5 ppm: ripe pear, green fruity, waxy apple, tropical notes, fatty golden delicious apple fleshy. Taste characteristics at 20 ppm: green, fruity, apple and pear with waxy tropical nuances.
[Synthesis Reference(s)]

Tetrahedron, 36, p. 1961, 1980 DOI: 10.1016/0040-4020(80)80209-2
[General Description]

Natural occurrence: Apple, pear, grape, pear brandy and quince.
[Biochem/physiol Actions]

Odor at 1.0%
[Synthesis]

Synthetically via the lithium vinyl cuprates.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H412
[Precautionary statements ]

P273-P302+P352
[Hazard Codes ]

Xi,N
[Risk Statements ]

38-50/53
[Safety Statements ]

24/25-61-60
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

1
[RTECS ]

HD3510900
[F ]

10-23
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29161995
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 3
Skin Irrit. 2
[Toxicity]

LD50 oral in rat: > 5gm/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Lithium carbonate
[Preparation Products]

decadienal,(E,Z)-2,4-decadienal
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 3148(3025-30-7)1HNMR
FEMA 3148(3025-30-7)FT-IR
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