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?? 3-????????? ??? ???
?? ??:
21188-58-9
???:
?? 3-?????????
???(??):
??3-??????????;??3-?????????;??3-??????????(METHYL3-HYDROXYHEXANOATE)
???:
3-Hydroxyhexanoic Acid Methyl Ester
???(??):
FEMA 3508;METHYL-3-HYDROXYCAPROATE;METHYL 3-HYDROXYHEXANOATE;pineapple hydroxyhexanoate;3-HYDROXY C6:0 METHYL ESTER;METHYL 3-HYDROXYHEXANOATE 97+%;3-hydroxy-hexanoicacimethylester;3-Hydroxycaproic acid methyl ester;3-Hydroxyhexanoic acid methyl ester;HEXANOIC ACID, 3-HYDROXY-, METHYL ESTER
CBNumber:
CB6243245
???:
C7H14O3
??? ??:
146.18
MOL ??:
21188-58-9.mol

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?? ?
98 °C(Press: 15 Torr)
??
1 g/mL at 25 °C(lit.)
???
n20/D 1.43(lit.)
FEMA
3508 | METHYL 3-HYDROXYHEXANOATE
???
185 °F
?? ??
Sealed in dry,Room Temperature
?? ?? (pKa)
13.95±0.20(Predicted)
??? ??
liquid
??
Colorless
??
????? ??? ? 10.00%. ??? ?? ? ?? ?? ???? ??? ?? ???
?? ??
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JECFA Number
600
InChI
InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChIKey
ACCRBMDJCPPJDX-UHFFFAOYSA-N
SMILES
C(OC)(=O)CC(O)CCC
LogP
0.51
EPA
Methyl 3-hydroxyhexanoate (21188-58-9)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 41
????? 26-39
????(UN No.) NA 1993 / PGIII
WGK ?? 3
HS ?? 29181990
???? ?? KE-05-0833
????(GHS): GHS hazard pictograms
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H318 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 1 ?? GHS hazard pictograms P280, P305+P351+P338, P310
??????:
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
0
3 0

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??

Methyl 3-hydroxyhexanoate is ethereal, wine-like, fruity, and oily.

??? ??

Methyl 3-hydroxyhexanoate has an ethereal, wine-like, fruity, oily, aroma.

??

Reported found in Valencia orange juice, passion fruit juice, pineapple, strawberry fruit and jam, wood apple, soursop, mountain papaya and naranjilla fruit.

??

3-Hydroxyhexanoic Acid Methyl Ester is an ester found in pineapple juice and is used as a flavoring compound in food.

?? ??

3-Hydroxyhexanoic Acid Methyl Ester is prepared from Methyl-n-propylketone plus afpha-Bromoacetic ester (or alp/za-Chloroacetic ester) in presenrx of Zinc (or Magnesium).

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