ChemicalBook--->CAS DataBase List--->4358-87-6

4358-87-6

4358-87-6 Structure

4358-87-6 Structure
IdentificationMore
[Name]

Methyl DL-mandelate
[CAS]

4358-87-6
[Synonyms]

DL-MANDELIC ACID METHYL ESTER
DL-METHYL MANDELATE
HYDROXY-PHENYL-ACETIC ACID METHYL ESTER
MANDELIC ACID METHYL ESTER
METHYL DL-MANDELATE
(+/-)-METHYL MANDELATE
METHYL MANDELATE
alpha-hydroxy-,methylester,(+/-)-benzeneaceticaci
Benzeneacetic acid, alpha-hydroxy-, methyl ester, (±
Benzeneacetic acid, alpha-hydroxy-, methyl ester, (.+/-.)-
Methyl hydroxy(phenyl)acetate
(+/-)-alpha-Hydroxyphenylacetic acid methyl ester~(+/-)-Mandelic acid methyl ester
DL-MANDELIC ACID METHYL ESTER CRYSTALLINE
(±)-Methylmandelate,97%
alpha-Hydroxyphenylacetic acid methyl ester
Methyl 2-hydroxy-2-phenylacetate
rac-(2R*)-2-Hydroxy-2-phenylacetic acid methyl ester
rac-(R*)-Hydroxyphenylacetic acid methyl ester
rac-(R*)-Phenylhydroxyacetic acid methyl ester
rac-(αR*)-α-Hydroxybenzeneacetic acid methyl ester
[EINECS(EC#)]

224-434-7
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00004493
[Molecular Weight]

166.17
[MOL File]

4358-87-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow crystals, crystalline
[Melting point ]

54-56 °C (lit.)
[Boiling point ]

135 °C/12 mmHg (lit.)
[density ]

1.1756
[refractive index ]

1.5351 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

methanol: 0.1 g/mL, clear
[form ]

Solid
[pka]

12.19±0.20(Predicted)
[color ]

White to Off-White
[BRN ]

2047558
[InChI]

1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3
[InChIKey]

ITATYELQCJRCCK-UHFFFAOYSA-N
[SMILES]

COC(=O)C(O)c1ccccc1
[CAS DataBase Reference]

4358-87-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Methyl mandelate(4358-87-6)
[EPA Substance Registry System]

4358-87-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29181980
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl DL-mandelate(4358-87-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow crystals, crystalline
[Uses]

Methyl DL-Mandelate is a substrate for lipase B from Candida antarctica.
[Definition]

ChEBI: Mandelic Acid, Methyl Ester is a member of benzenes.
[Synthesis Reference(s)]

Synthetic Communications, 16, p. 331, 1986 DOI: 10.1080/00397918608076314
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl DL-mandelate(4358-87-6)MS
Methyl DL-mandelate(4358-87-6)1HNMR
Methyl DL-mandelate(4358-87-6)IR1
Methyl DL-mandelate(4358-87-6)IR2
Methyl DL-mandelate(4358-87-6)IR3
Methyl DL-mandelate(4358-87-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-Methyl mandelate, 97%(4358-87-6)
[Alfa Aesar]

(+/-)-Methyl mandelate, 97%(4358-87-6)
[Sigma Aldrich]

4358-87-6(sigmaaldrich)
[TCI AMERICA]

Methyl DL-Mandelate,>98.0%(GC)(4358-87-6)
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