ChemicalBook--->CAS DataBase List--->78-36-4

78-36-4

78-36-4 Structure

78-36-4 Structure
IdentificationBack Directory
[Name]

LINALYL BUTYRATE
[CAS]

78-36-4
[Synonyms]

FEMA 2639
NSC 46144
Linalylbutyrat
LILYL BUTYRATE
LINALYL BUTYRATE
Linalyl butanoate
LINALYLn-BUTYRATE
Linalool butyrate
LINALYL BUTYRATE 94+%
Butyric acid, linalyl ester
3 7-DIMETHYL-1 6-OCTADIEN-3-OLUTYRATE
1,5-DIMETHYL-1-VINYL-4-HEXENYLBUTYRATE
3,7-DIMETHYL-1,6-OCTADIEN-3-OL BUTYRATE
3,7-Dimethylocta-1,6-dien-3-yl butyrate
3,7-dimethylocta-1,6-dien-3-yl butanoate
Butanoicacid,1-ethenyl-1,5-dimethyl-4-hexenylester
Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
Folic acid,PteGlu, Pteroyl-L-glutamic acid, Vitamin M
linalylbutyrate,3,7-dimethyl-1,6-octadien-3-ylbutyrate
[EINECS(EC#)]

201-109-8
[Molecular Formula]

C14H24O2
[MDL Number]

MFCD00048716
[MOL File]

78-36-4.mol
[Molecular Weight]

224.34
Chemical PropertiesBack Directory
[Boiling point ]

80-82 °C0.2 mm Hg(lit.)
[density ]

0.892 g/mL at 25 °C(lit.)
[FEMA ]

2639 | LINALYL BUTYRATE
[refractive index ]

n20/D 1.45(lit.)
[Fp ]

218 °F
[solubility ]

Almost insoluble in water, soluble in alcohol and oils
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.90
[Odor]

at 100.00 %. bergamot fruity banana berry
[biological source]

synthetic
[Odor Type]

floral
[JECFA Number]

361
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
[InChIKey]

FHLGUOHLUFIAAA-UHFFFAOYSA-N
[SMILES]

CCCC(=O)OC(C)(CC\C=C(\C)C)C=C
[LogP]

4.90
[EPA Substance Registry System]

Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester (78-36-4)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H411
[Precautionary statements ]

P273-P391-P501
[WGK Germany ]

2
[TSCA ]

TSCA listed
[HS Code ]

2915.60.5000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butyryl chloride-->Linalool-->3,7-dimethyloct-6-en-1-yn-3-ol-->Butyric anhydride-->Methanol-->Methyl butyrate
Hazard InformationBack Directory
[Description]

Linalyl butyrate has a fruity note with a bergamot-like undertone. The flavor reminiscent of certain types of honey on dilution. It is moderately stable.
[Chemical Properties]

Linalyl butyrate has a heavy-fruity, sweet, pear-like aroma. The flavor is reminiscent of certain types of honey on dilu tion. It is moderately stable.
[Chemical Properties]

Linalyl Butyrate is a liquid with a fruity bergamot note and a subdued animalic tone. It is used in lavender perfumes and in many blossom compositions.
[Occurrence]

Reported found in the oil of Artemisia porrecta var. coerulea, lavender oil and kumquat peel oil.
[Uses]

Linalyl butyrate finds use in perfume compositions mainly for Lavender notes in Colognes (Citrus-colognes), Fougères, and in many types of Lilac, Muguet, Cassie, Peony and other floral bases. It is furthermore used in flavor compositions for imitation Banana, Butter, Grape, Honey, Loganberry, Melon, Peach, Pear, Pineapple, Plum, and in Caramel flavors, Citrus blends, fruit complexes, Spice blends, Nut flavors, Rose or other floral types, etc. The concentration is normally low, about 0.1 up to 15 ppm in the finished product.
[Definition]

ChEBI: Linalyl butyrate is a monoterpenoid.
[Preparation]

Analogous to that of geranyl butyrate.
[Taste threshold values]

Taste characteristics at 20 ppm: floral, terpy, fruity, citrus and berry.
[Pharmacology]

Linalyl butyrate strongly decreased the spontaneous motility of mice at a dosage of 100 mg/kg (Wagner & Sprinkmeyer. 1973).
Spectrum DetailBack Directory
[Spectrum Detail]

LINALYL BUTYRATE(78-36-4)1HNMR
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