4′-Hydroxyacetophenone
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4′-Hydroxyacetophenone
structure -
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CAS No:
99-93-4
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Formula:
C8H8O2
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Chemical Name:
4′-Hydroxyacetophenone
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Synonyms:
Ethanone,1-(4-hydroxyphenyl)-;Acetophenone,4′-hydroxy-;Acetophenone,p-hydroxy-;1-(4-Hydroxyphenyl)ethanone;4-Acetylphenol;Piceol;Methyl p-hydroxyphenyl ketone;p-Hydroxyacetophenone;p-Hydroxyphenyl methyl ketone;p-Acetylphenol;4′-Hydroxyacetophenone;4-Hydroxyphenyl methyl ketone;p-Acetophenol;1-(4-Hydroxyphenyl)-1-ethanone;Methyl 4-hydroxyphenyl ketone;4-Acetophenol;4-Hydroxyphenylethanone;NSC 3698
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CAS No:
Description
4-Hydroxyacetophenone (P-hydroxyacetophenone) is a key hepatoprotective and choleretic compound in Artemisia capillaris and A. morrisonensis, also has an anti-hepatitis B virus effect and anti-inflammatory effect[1].
OtherSolid|White to off-white crystals, chips or chunks; Slight berry to sweet balsam aroma
4'-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4'. It has a role as a plant metabolite, a fungal metabolite and a mouse metabolite.
4′-Hydroxyacetophenone Basic Attributes
136.14800
136.15
202-802-8
G1L3HT4CMH
3698
DTXSID0029133
2914509090
Characteristics
37.30000
1.4
OtherSolid
1.109
109.5 °C
147-148 °C
166ºC
1.55773 (109ºC)
H2O: 10 g/L (22 ºC)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
R22; R36/37/38
S26-S37/39
PC4959775
Xn
Stable under normal temperatures and pressures.
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (46.42%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 293 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
4-Hydroxyacetophenone has known human metabolites that include (2S,3S,4S,5R)-6-(4-acetylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
1-(4-hydroxyphenyl)ethanone
4′-Hydroxyacetophenone Use and Manufacturing
Piceol is a phenolic compound found in the needles and in mycorrhizal roots of Norway spruces (Picea abies). Picein is the glucoside of piceol.
Ethanone, 1-(4-hydroxyphenyl)-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:136.15
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Antioxidant and preservative booster with radical-scavenging properties; helps stabilize formulations and protect against oxidative degradation.
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