ChemicalBook--->CAS DataBase List--->17199-29-0

17199-29-0

17199-29-0 Structure

17199-29-0 Structure
IdentificationMore
[Name]

(S)-(+)-Mandelic acid
[CAS]

17199-29-0
[Synonyms]

2-phenylglycolic acid
a-Hydroxy-benzeneacetic acid
alpha-Hydroxy-benzeneacetic acid
amygdalic acid
d-2-hydroxy-2-phenylacetic acid
Hydroxy(phenyl)acetic acid
L-2-HYDROXY-PHENYLACETIC ACID
L-A-HYDROXYPHENYLACETIC ACID
L-ALPHA-HYDROXYPHENYLACETIC ACID
L-AMYGDALIC ACID
(+)-L-MANDELIC ACID
L-(+)-MANDELIC ACID
L-MANDELIC ACID
L-PHENYLGLYCOLIC ACID
(+)-MANDELIC ACID
MANDELIC ACID, L-(+)-
(S)-2-HYDROXY-2-PHENYLACETIC ACID
(S)-ALPHA-HYDROPHENYLACETIC ACID
(S)-(+)-ALPHA-HYDROXYPHENYLACETIC ACID
(S)-ALPHA-HYDROXYPHENYLACETIC ACID
[EINECS(EC#)]

241-240-8
[Molecular Formula]

C8H8O3
[MDL Number]

MFCD00004495
[Molecular Weight]

152.15
[MOL File]

17199-29-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

131-134 °C(lit.)
[alpha ]

155 º (c=2 , H2O)
[Boiling point ]

234.6°C (rough estimate)
[density ]

1.3410
[refractive index ]

153.5 ° (C=1, H2O)
[Fp ]

>190°C
[storage temp. ]

Store below +30°C.
[solubility ]

Methanol (Slightly), Water (Sparingly, Heated)
[form ]

Crystalline Powder
[pka]

3.41±0.25(Predicted)
[color ]

White to beige-brown
[PH]

2.1 (60g/l, H2O, 20℃)
[Stability:]

Stable, but light sensitive. Combustible. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.
[Optical Rotation]

[α]20/D +153±5°, c = 5% in H2O
[Water Solubility ]

100 g/L (25 ºC)
[Sensitive ]

Light Sensitive
[Detection Methods]

HPLC,NMR
[BRN ]

2208678
[InChI]

1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
[InChIKey]

IWYDHOAUDWTVEP-ZETCQYMHSA-N
[SMILES]

O[C@H](C(O)=O)c1ccccc1
[LogP]

0.550 (est)
[CAS DataBase Reference]

17199-29-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, «alpha»-hydroxy-, (s)-(17199-29-0)
[Storage Precautions]

Light sensitive
[EPA Substance Registry System]

17199-29-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338+P310
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29181980
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

(3S)-(-)-3-(Dimethylamino)pyrrolidine-->(S)-(+)-alpha-Methoxyphenylacetic acid-->1H-Azepine-4-carboxylicacid,hexahydro-,methylester,(4S)-(9CI)-->(S)-(+)-Methyl mandelate-->(S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate-->2-Bromo-2-phenylacetic acid-->(S)-(+)-O-Acetyl-L-mandelic acid-->Benzeneacetyl chloride, α-hydroxy-, (αS)-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

D-2-Hydroxy-2-phenylacetic acid(17199-29-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

Antiseptic (urinary).
[Definition]

ChEBI: (S)-mandelic acid is a (2S)-2-hydroxy monocarboxylic acid and a mandelic acid. It is a conjugate acid of a (S)-mandelate. It is an enantiomer of a (R)-mandelic acid.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Mandelic acid is produced from acetophenone, a by-product of the isopropylbenzene process for phenol.
[Purification Methods]

Purify the mandelic acids by recrystallisation from H2O, *C6H6 or CHCl3. [Roger J Chem Soc 2168 1932,Jamison & Turner J Chem Soc 611 1942.] They have solubilities in H2O of ca 11% at 25o. [Banks & Davies J Chem Soc 73 1938.] The S-benzylisothiuronium salts has m 180o (from H2O) and [] D 25 (+) and (-) 57o (c20, EtOH) [El Masri et al. Biochem J 68 199 1958]. [Beilstein 10 IV 564.]
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-Mandelic acid(17199-29-0)MS
(S)-(+)-Mandelic acid(17199-29-0)1HNMR
(S)-(+)-Mandelic acid(17199-29-0)13CNMR
(S)-(+)-Mandelic acid(17199-29-0)IR1
(S)-(+)-Mandelic acid(17199-29-0)IR2
(S)-(+)-Mandelic acid(17199-29-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(S)-(+)-Mandelic acid, 99+%(17199-29-0)
[Alfa Aesar]

(S)-(+)-Mandelic acid, 99+%(17199-29-0)
[Sigma Aldrich]

17199-29-0(sigmaaldrich)
[TCI AMERICA]

L-(+)-Mandelic Acid,>99.0%(GC)(T)(17199-29-0)
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