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????????? ??? ???
?? ??:
51019-43-3
???:
?????????
???(??):
?????????;(-)-O-???-D-???
???:
(-)-O-ACETYL-D-MANDELIC ACID
???(??):
(R)-2-acetoxy-2-phenylacetic acid;(-)-D-Mandelic acid acetate;2(R)-acetoxy-2-phenylacetic acid;-D-mandeL;(-)-O-AcetyL;Mandelic acid 12;(-)-O-Acetylmandelic acid;R - 0 - ACETYLMANDELIC ACID;D-(-)-O-Acetyl Mandelic acid;(-)-O-Acetyl-D-mandelic Acid
CBNumber:
CB6311049
???:
C10H10O4
??? ??:
194.19
MOL ??:
51019-43-3.mol
MSDS ??:
SDS

????????? ??

???
97-99 °C(lit.)
?? ?
317.8±30.0 °C(Predicted)
??
1.259±0.06 g/cm3(Predicted)
???
-153 ° (C=2, Acetone)
?? ??
Inert atmosphere,Store in freezer, under -20°C
???
???? ?????. (?? ???)
?? ?? (pKa)
2.76±0.10(Predicted)
??? ??
powder to crystal
??
???? ?? ??
?? ??
[α]20/D 152.4°, c = 2 in acetone
BRN
2694110
??? ?? ??
???
InChI
InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/s3
InChIKey
YCCSWLJUVZBEAS-SECBINFHSA-N
SMILES
[C@@H](C1C=CC=CC=1)(C(=O)O)OC(=O)C |&1:0,r|
LogP
1.780 (est)
CAS ??????
51019-43-3(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
?? ???? ?? 36/37/38
????? 22-24/25-60-37-26
WGK ?? 3
HS ?? 29181990
???? ??? 11 - Combustible Solids
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P405 ???? ?????.
NFPA 704
0
2 0

????????? C??? ??, ??, ??

??? ??

white to light yellow crystal powde

??

The (R)- and (S)-isomers are chiral derivatizing agents for NMR determination of enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.

?? ??

(R)-(-)-O-Acetylmandelic acid is a chiral derivatizing agent for NMR determination of enantiomeric purity of α-deuterated carboxylic acids, alcohols, and amines.

Purification Methods

It crystallises from H2Owith 1mol of solvent which is removed on drying, or from other solvents as for the S-iso

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