4'-hydroxyacetophenone

symsave H (Symrise)

CAS: 99-93-4 C8 H8 O2 MW: 136.15016000 floral

Identification

Name4'-hydroxyacetophenone
IUPAC1-(4-hydroxyphenyl)ethanone
CAS Number99-93-4
EINECS202-802-8
FDA UNIIG1L3HT4CMH
Molecular FormulaC8 H8 O2
Molecular Weight136.15016000
MDL NumberMFCD00002359
Nikkaji NumberProcess for produc
Beilstein0774355
XlogP31.40 (est)

Regulatory

JECFA Food Flavoring2040 4-hydroxyacetophenone
DG SANTE Food Flavourings07.243 4-hydroxyacetophenone
FEMA Number4330
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)99-93-4 ; 4-HYDROXYACETOPHENONE

Physical Properties

Appearance white to beige crystalline powder (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 109.00 to 110.00 °C. @ 760.00 mm Hg
Boiling Point 147.00 to 148.00 °C. @ 3.00 mm Hg, 285.00 to 287.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.000300 mmHg @ 25.00 °C. (est)
Flash Point 250.00 °F. TCC ( 121.11 °C. )
logP (o/w) 1.350
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesantioxidants

Organoleptic Properties

Odor Strength medium ,
Substantivity 400 hour(s) at 100.00 %
Odor Description at 10.00 % in dipropylene glycol.
Odor sample from Sigma-Aldrich, Inc.: Aldrich
Taste Description bland

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-mouse LD50 [sex: M] 1780 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorycosmetic and flavor agents
Recommendation for 4'-hydroxyacetophenone usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.016 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods0.10000
beverages(nonalcoholic)1.00000
beverages(alcoholic)1.00000
breakfast cereal-
cheese0.01000
chewing gum-
condiments / relishes0.01000
confectionery froastings1.00000
egg products-
fats / oils-
fish products0.01000
frozen dairy0.01000
fruit ices0.10000
gelatins / puddings0.01000
granulated sugar-
gravies0.01000
hard candy-
imitation dairy0.01000
instant coffee / tea-
jams / jellies-
meat products0.01000
milk products0.01000
nut products-
other grains-
poultry0.01000
processed fruits0.01000
processed vegetables0.01000
reconstituted vegetables-
seasonings / flavors0.01000
snack foods0.01000
soft candy-
soups0.01000
sugar substitutes-
sweet sauces0.01000
Dairy products, excluding products of category 02.0 (01.0)3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)2.00000
Edible ices, including sherbet and sorbet (03.0)3.00000
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)4.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)2.00000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)1.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)4.00000
Ready-to-eat savouries (15.0)5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)2.00000

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Potential Uses

FL almond FR ambreine FR amyris FR ash mountain ash FR azalea FR baby powder FR balsam FL/FR carob bean locust bean FR beeswax absolute replacer FL/FR benzoin absolute replacer FR cardamom oil replacer FL/FR cistus FL/FR copaiba balsam FR coronilla FR davana oil replacer FR elemi FR evergreen fir FR fir balsam FR fir needle oil replacer FR galbanum FR habuba FR hawthorn FR heather FR hugonia FR incense FR juniper berry FR labdanum FR leather liverwort FR mastic oil replacer FL mimosa FR musk FR myrrh FR opoponax FR patchouli oil replacer FR peru balsam FR pine FL/FR pine needle FL/FR pine scotch pine FR pinion FR styrax FR tobacco FR tolu balsam FL/FR valerian FL vanilla FR vetiver FR woody

Natural Occurrence

cloudberry fruit - 2.1 mg/kg coffee - 3.2 mg/kg PMC cranberry fruit - trace mango fruit - up to 0.04 mg/kg orange sherry - 0.4 mg/kg PMC wort 0.01 mg/kg

Synonyms

p-oxy acetophenone para-oxy acetophenone acetophenone, 4'-hydroxy- acetophenone, p-hydroxy- 4- acetyl phenol p- acetyl phenol para- acetyl phenol 1- acetyl-4-hydroxybenzene 4- acetylphenol p- acetylphenol para- acetylphenol ethanone, 1-(4-hydroxyphenyl)- 4'- hydroxy-acetophenone 4- hydroxyacetophenone p- hydroxyacetophenone para- hydroxyacetophenone p- hydroxyphenyl methyl ketone para- hydroxyphenyl methyl ketone 1-(4- hydroxyphenyl) ethanone (4- hydroxyphenyl)ethan-1-one 1-(4- hydroxyphenyl)ethan-1-one 1-(4- hydroxyphenyl)ethanone methyl p-hydroxyphenyl ketone methyl para-hydroxyphenyl ketone phenol, p-acetyl- piceol symsave H (Symrise) PubMed: Inhibition of xanthine oxidase by Rhodiola crenulata extracts and their phytochemicals. J-Stage: Oxidative Degradation of 4-Hydroxyacetophenone in Arthrobacter sp. TGJ4 PubMed: Acaricidal potentials of active properties isolated from Cynanchum paniculatum and acaricidal changes by introducing functional radicals. PubMed: Computational analysis for hepatic safety signals of constituents present in botanical extracts widely used by women in the United States for treatment of menopausal symptoms. PubMed: Mast cell-dependent allergic responses are inhibited by ethanolic extract of adlay (Coix lachryma-jobi L. var. ma-yuen Stapf) testa. PubMed: [Studies on chemical constituents of Saussurea laniceps]. PubMed: Exudation of allelopathic substances in buckwheat (Fagopyrum esculentum Moench). PubMed: Chemical constituents of cape aloe and their synergistic growth-inhibiting effect on Ehrlich ascites tumor cells. PubMed: Degradation of bisphenol A by Bacillus pumilus isolated from kimchi, a traditionally fermented food. PubMed: Chemistry and antioxidative factors in rosemary and sage. PubMed: Isolation and structural elucidation of two new glycosides from sage (Salvia officinalis L.). PubMed: Acetophenone glycosides from thyme (Thymus vulgaris L.). PubMed: Purification and Properties of an S-Adenosylmethionine: 2,4-Disubstituted Phenol O-Methyltransferase from Phanerochaete chrysosporium.