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61475-31-8

61475-31-8 Structure

61475-31-8 Structure
IdentificationBack Directory
[Name]

(S)-(+)-HEXAHYDROMANDELIC ACID
[CAS]

61475-31-8
[Synonyms]

(S)-(+)-HEXAHYDROMANDELIC ACID
S(+)-CYCLOHEXYLHYDROXYACETIC ACID
(S)-(+)-Hexahydromandelic acid 98%
ALPHA-HYDROXYCYCLOHEXANE-ACETIC ACID
(S)-2-Cyclohexyl-2-hydroxyacetic acid
Cyclohexaneacetic acid, α-hydroxy-, (αS)-
(S)-α-Hydroxycyclohexaneacetic acid, (S)-(+)-Cyclohexylhydroxyacetic acid
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD00057821
[MOL File]

61475-31-8.mol
[Molecular Weight]

158.2
Chemical PropertiesBack Directory
[Melting point ]

127-130 °C (lit.)
[storage temp. ]

2-8°C
[Appearance]

White to off-white Solid
[Optical Rotation]

[α]18/D +23°, c = 1 in acetic acid
[BRN ]

4663647
[InChI]

1S/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1
[InChIKey]

RRDPWAPIJGSANI-ZETCQYMHSA-N
[SMILES]

O[C@@H](C1CCCCC1)C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-HEXAHYDROMANDELIC ACID(61475-31-8)1HNMR
(S)-(+)-HEXAHYDROMANDELIC ACID(61475-31-8)FT-IR
(S)-(+)-HEXAHYDROMANDELIC ACID(61475-31-8)Raman
(S)-(+)-HEXAHYDROMANDELIC ACID(61475-31-8)IR
Hazard InformationBack Directory
[Purification Methods]

It forms hexagonal clusters on recrystallisation from CCl4 or Et2O. [Wood & Comley J Chem Soc 2638 1924, Lettré et al. Chem Ber 69 1594 1936]. The racemate has m 137.2-137.6o (134-135o) [Smith et al. J Am Chem Soc 71 3772 1949]. [Beilstein R-10 II 5; S-10 II 6.]
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