3-(4-Hydroxyphenyl)lactate
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3-(4-Hydroxyphenyl)lactate
structure -
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CAS No:
306-23-0
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Formula:
C9H10O4
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Chemical Name:
3-(4-Hydroxyphenyl)lactate
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Synonyms:
3-[4-HYDROXYPHENYL]-2-HYDROXYPROPANOIC ACID;4-hydroxyphenyllacticacid;alpha,4-dihydroxy-benzenepropanoicaci;beta-(4-hydroxyphenyl)lacticacid;beta-(p-hydroxyphenyl)lacticacid;hpla;(RS)-3-(4-HYDROXYPHENYL)LACTIC ACID;2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
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CAS No:
Description
Hydroxyphenyllactic acid is an antifungal metabolite.
Solid
3-(4-hydroxyphenyl)lactic acid is a 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a human metabolite and a bacterial metabolite. It is a 2-hydroxy carboxylic acid and a member of phenols. It derives from a rac-lactic acid. It is a conjugate acid of a 3-(4-hydroxyphenyl)lactate.
Characteristics
77.76000
2.13
Solid
1.2481 (rough estimate)
140 °C(Solv: water (7732-18-5))
275.56°C (rough estimate)
152.5±19.4 °C
1.4345 (estimate)
12.9 mg/mL at 16 °C
3.80±0.10(Predicted)
139.4 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|144.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|141.9 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|142.2 Ų [M-H]-
4°C, away from moisture and light
Safety Information
3
Xi
26-36
Xi: Irritant;
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
36/37/38
|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-(4-Hydroxyphenyl)lactate Use and Manufacturing
DL-p-Hydroxyphenyllactic Acid is used as a reagent in the synthesis of 2-O-(4-coumaroyl)-3-(4-hydroxyphenyl)lactic acid, an important intermediate of rosmarinic acid biosynthesis.
DL-p-Hydroxyphenyllactic acid is a precursor in the synthesis of rosmarinic acid that can be used for pharmaceutical and nutraceutical applications. It also exhibits antifungal activity.
Computed Properties
Molecular Weight:182.17
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:77.8
Heavy Atom Count:13
Complexity:173
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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