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ChemicalBook--->CAS DataBase List--->3915-83-1

3915-83-1

3915-83-1 Structure

3915-83-1 Structure
IdentificationBack Directory
[Name]

FEMA 2778
[CAS]

3915-83-1
[Synonyms]

FEMA 2778
Nerylisovalerat
nerolisovalerate
NERYL ISOVALERATE
nerylisovalerianate
neryl3-methylbutanoate
NERYL ISOVALERATE 92+%
nerylbeta-methylbutyrate
isovalericacidnerylester
3,7-dimethyl-,isovalerate,(z)-6-octadien-1-ol
3,7-dimethyl-2-cis-6-octadien-1-ylisovalerate
3,7-dimethyl-2,6-octadienylester,(z)-isovalericaci
Isovaleric acid (Z)-3,7-dimethyl-2,6-octadienyl ester
Isovaleric acid (Z)-3,7-dimethyl-2,6-octadien-1-yl ester
3-methyl-,3,7-dimethyl-2,6-octadienylester,(z)-butanoicaci
3-Methylbutanoic acid (2Z)-3,7-dimethyl-2,6-octadienyl ester
Butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester
Butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
[EINECS(EC#)]

223-478-4
[Molecular Formula]

C15H26O2
[MDL Number]

MFCD00085361
[MOL File]

3915-83-1.mol
[Molecular Weight]

238.37
Chemical PropertiesBack Directory
[Boiling point ]

252 °C(lit.)
[density ]

0.89 g/mL at 25 °C(lit.)
[FEMA ]

2778 | NERYL ISOVALERATE
[refractive index ]

n20/D 1.458(lit.)
[Fp ]

>230 °F
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[color ]

Colourless or pale straw-coloured liquid.
[Odor]

at 100.00 %. sweaty floral rose bergamot citrus fruity
[Odor Type]

floral
[JECFA Number]

76
[LogP]

5.51
[EPA Substance Registry System]

Neryl isovalerate (3915-83-1)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

2
[RTECS ]

RG5927710
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1976).
Hazard InformationBack Directory
[Description]

Neryl isovalerate has a strong, rich, fruity odor reminiscent of bergamot, clary sage, and petitgrain. It has a bitter taste. Below 10 ppm, the flavor is berry-like, somewhat similar to black currant and apple. May be prepared by esterification of nerol with isovaleric acid.
[Chemical Properties]

Neryl isovalerate has a strong, rich, fruity odor reminiscent of bergamot, clary sage and petitgrain. It has a bitter flavor. At concentrations below 10 ppm, the flavor is berry-like, somewhat similar to black currant and apple
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

FEMA 2778 finds a little use in Rose variations, in Oriental bases, and in Oakmoss blends, where it introduces very attractive sweetness and rich-herbaceous notes. As a modifier in heavy florals it may be used sparingly, but it is not often found in a perfume laboratory.
[Preparation]

By esterification of nerol with isovaleric acid
[Aroma threshold values]

At 1.0%: sour, sweaty with floral rosy undernotes, and a bergamot citrus nuance and fruity notes of blueberry, cranberry, apple and grape.
[Taste threshold values]

Taste characteristics at 5 to 20 ppm: fruity, rich floral and slightly citrus-like with berry, waxy nuances of blueberry, fruity notes of apple, grape, peach and apricot
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