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2835-39-4
???:
?? ???????
???(??):
?????????;???????;?????????(ALLYLISOVALERATE);??????????;??????????;2-????3-????????
???:
ALLYL ISOVALERATE
???(??):
FEMA 2045;NCI-C54717;femano.2045;FEMA No. 2045;ALLYL ISOVALERATE;ALLYL ISOPENTANOATE;ALLYL ISOVALERIANATE;2-propenylisovalerate;2-Propenyl isovalerate;ALLYL-3-METHYL BUTYRATE
CBNumber:
CB2149907
???:
C8H14O2
??? ??:
142.2
MOL ??:
2835-39-4.mol
MSDS ??:
SDS

?? ??????? ??

?? ?
155 °C(lit.)
??
0.88 g/mL at 25 °C(lit.)
FEMA
2045 | ALLYL ISOVALERATE
???
n20/D 1.416(lit.)
???
139 °F
???
Insoluble in water, soluble in alcohol, miscible with perfume and flavor materials. Poorly soluble in Propylene glycol.
??
????? ??? ? 10.00%. ??? ?? ??? ?? ???? ??
?? ??
?? ??
???? ??
synthetic
JECFA Number
7
?? ??
flavors and fragrances
??? ?? ??
PERFUMING
InChI
1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey
HOMAGVUCNZNWBC-UHFFFAOYSA-N
SMILES
CC(C)CC(=O)OCC=C
LogP
2.40
IARC
3 (Vol. 36, Sup 7, 71) 1999
EPA
Allyl isovalerate (2835-39-4)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn
?? ???? ?? 21/22-36/37/38
????? 26-36
????(UN No.) UN 1992 3/PG 3
WGK ?? 3
RTECS ?? NY1412000
TSCA TSCA listed
?? ?? 3.2
???? III
???? ??? 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
?? ?? ??? 2835-39-4(Hazardous Substances Data)
?? mouse,LDLo,oral,500mg/kg (500mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SKIN AND APPENDAGES (SKIN): HAIR: OTHER,National Toxicology Program Technical Report Series.
???? ?? KE-23570
????(GHS): Flame (GHS02)Skull and Crossbones (GHS06)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H226 ??? ?? ? ?? ??? ?? ?? 3 ??
H301 ??? ??? ?? ?? ?? - ?? ?? 3 ?? P264, P270, P301+P310, P321, P330,P405, P501
H311 ??? ???? ??? ?? ?? ?? - ?? ?? 3 ?? P280, P302+P352, P312, P322, P361,P363, P405, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P280 ????/???/???/?????? ?????.
P301+P310 ???? ?? ????(??)? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P312 ???? ??? ????(??)? ??? ????.

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Organic compound.

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Allyl Isovalerate is a synthetic flavoring agent that is a stable, color- less to light yellow liquid of fruity odor. it should be stored in glass or tin containers. it has usage in fruit flavors with applications in beverages, baked goods, ice cream, and candy at 8–50 ppm.

?? ??

By direct esterification in the presence of benzene.

?? ??

Clear colorless to pale yellow liquid with overripe fruit odor and an apple taste.

??? ?? ??

Insoluble in water.

?? ???

ALLYL ISOVALERATE may react vigorously with strong oxidizing agents. Can react exothermically with reducing agents (such as alkali metals and hydrides) to release gaseous hydrogen. May react exothermically with both acids and bases.

???

Toxic, irritant, questionable carcinogen

????

ALLYL ISOVALERATE is combustible.

Synthesis

Allyl isovalerate is produced by direct esterification of Allylalcohol with iso-Valerie acid under azeotropic conditions. 

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