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94-46-2
???:
???????????
???(??):
???????????;??????????;????? ?????;?????????
???:
Isoamyl benzoate
???(??):
FEMA 2058;AMYL BENZOATE;AMYLBENZOAT;so-Amyl benzoate;Isopentylbenzoat;ISOAMYL BENZOATE;ISOPENTYL BENZOATE;AMYL (ISO) BENZOATE;Isoamyl Benzoate >3-methylbutylbenzoate
CBNumber:
CB5688014
???:
C12H16O2
??? ??:
192.25
MOL ??:
94-46-2.mol
MSDS ??:
SDS

??????????? ??

?? ?
261-262 °C (lit.)
??
0.99 g/mL at 25 °C (lit.)
???
1hPa at 66℃
FEMA
2058 | ISOAMYL BENZOATE
???
n20/D 1.494(lit.)
???
>230 °F
?? ??
Store below +30°C.
???
?? ???
??? ??
??? ??
??
???
??
100.00%??. ??? ??? ?? ??
?? ??
???
???? ??
synthetic
JECFA Number
857
Merck
14,5113
Dielectric constant
5.1(20℃)
?? ??
?? ? ?
??? ?? ??
??
??? ?? ??
Isoamyl benzoate (94-46-2)
InChI
1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
MLLAPOCBLWUFAP-UHFFFAOYSA-N
SMILES
CC(C)CCOC(=O)c1ccccc1
LogP
4.272 at 25℃
CAS ??????
94-46-2(CAS DataBase Reference)
NIST
1-Butanol, 3-methyl-, benzoate(94-46-2)
EPA
1-Butanol, 3-methyl-, benzoate (94-46-2)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
WGK ?? 2
RTECS ?? DH3078000
TSCA TSCA listed
HS ?? 2916.31.5000
???? ??? 10 - Combustible liquids
?? The acute oral LD50 value was reported as 6.33 g/kg in the rat . The acute dermal LD50 for sample no. 71-24 was reported to be > 5 g/kg in the rabbit
???? ?? KE-21574
????(GHS): Environment (GHS09)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H411 ??? ??? ?? ????? ??? ?? ????? ?? - ?? ?? 2
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
0 0

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??

Isoamyl benzoate has a fruity, slightly pungent odor. May be prepared by transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzoyl chloride and isoamyl acetate.

??

Reported found in vinegar, cocoa, sweet cherry, papaya, beer, quince, litchi, cherimoya, sea buckthorn (Hippophae rhamnoides L.) and jackfruit (Artocarpus heterophyllus Larn.)

??

Isoamyl benzoate is a common ester used in the fragrance and flavor industry. It has pleasant fruity and floral aromas, making it popular in a variety of fragrances.

?? ??

By transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzyl chloride and isoamyl acetate.

?? ??

Benzoic acid is metabolized in the mammalian body after conjugation with glycine to form hippuric acid and benzoylglucuronic acid, which are excreted in the urine(Williams, 1959).

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