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L-Mandelic acid 98%

CAT: 0286-M01600-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
17199-29-0
Synonyms
L- (+) -Mandelic acid; (S) - (+) -Mandelic acid; L-2-Hydroxyphenylacetic acid; (S) - (+) -Amygdalic acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004495
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

(S)-mandelic acid

(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.

CAS Number17199-29-0
PubChem CID439616
IUPAC Name(2S)-2-hydroxy-2-phenylacetic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC=C(C=C1)[C@@H](C(=O)O)O
InChI
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
Chemical Structure
2D Structure
2D structure of (S)-mandelic acid
CAS: 17199-29-0
CID: 439616
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes