4-Methylmandelic acid

HCID 98421CAS 18584-20-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C(O)C(=O)O)cc1
InChIKey
SFGURAWGCAPHON-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol

Names & identifiers

Preferred name
4-Methylmandelic acid
IUPAC
2-hydroxy-2-(4-methylphenyl)acetic acid
English name
Hydroxy-p-tolyl-acetic acid
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

18584-20-84-Methylmandelic acid2S2B4H5RL9NSC-126594RefChem:10711752-hydroxy-2-(4-methylphenyl)acetic acid2-hydroxy-2-(p-tolyl)acetic acidhydroxy-p-tolyl-acetic acidp-methylmandelic acidMFCD00961860P-methyl mandelic acid4-Methylmaldelic acid
Show more names
Dextromethorphan Impurity 20p-Methylphenylhydroxyacetic acP-methylphenylhydroxyacetic acidBenzeneacetic acid, a-hydroxy-4-Methyl-Benzeneacetic acid, α-hydroxy-4-methyl-alpha-Hydroxy-4-methylphenyl-acetic acid
NSC126594NSC 126594alpha-Hydroxy-4-methylbenzeneacetic acidp-Methyl-mandelic acidBenzeneacetic acid, alpha-hydroxy-4-methyl-UNII-2S2B4H5RL9SCHEMBL2454054-Methylcarboxy-benzyl alcohol

Database identifiers

CAS
18584-20-8
PubChem CID
98421
UNII
2S2B4H5RL9
Nikkaji
J405.822D

Properties

Computed structural properties

XLogP
1
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
145 · 145-146 °C
Boiling point
336.4 · 336.4±27.0 °C(Predicted)
Density
1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
3.55 · 3.55±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

hs_code
2918199890
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xi
Hazard statements
H302-H315-H318-H319-H335
Precautionary statements
P233-P234-P261-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers35 total

珠海奥博凯生物医药技术有限公司400-0628126
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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