(2-Hydroxyphenyl)acetic acid
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(2-Hydroxyphenyl)acetic acid
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CAS No:
614-75-5
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Formula:
C8H8O3
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Chemical Name:
(2-Hydroxyphenyl)acetic acid
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Synonyms:
Benzeneacetic acid,2-hydroxy-;Acetic acid,(o-hydroxyphenyl)-;2-Hydroxybenzeneacetic acid;(2-Hydroxyphenyl)acetic acid;(o-Hydroxyphenyl)acetic acid;2-HPAA;NSC 62000;2-(2′-Hydroxyphenyl)acetic acid;2-(2-Hydroxyphenyl)acetic acid
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CAS No:
Description
2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU).
Solid
(2-hydroxyphenyl)acetic acid is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria. It has a role as a human metabolite and a mouse metabolite. It is a member of phenols and a hydroxy monocarboxylic acid. It derives from an acetic acid and a phenol. It is a conjugate acid of a (2-hydroxyphenyl)acetate.
(2-Hydroxyphenyl)acetic acid Basic Attributes
152.149
152.15
210-393-2
UK3R9Q59AV
62000
DTXSID1060633
29182990
Characteristics
57.5
0.9
Solid
1.3±0.1 g/cm3
148 °C
240 °C
162.6±18.8 °C
1.591
Soluble in Methanol and Water.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
130.1 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|130.7 Ų [M-H]-
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant;
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 134 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:152.15
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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