Compound: 5471-51-2
SMILES: O=C(CCc1ccc(O)cc1)C
InChIKey: NJGBTKGETPDVIK-UHFFFAOYSA-N
Synonyms: 5471-51-2, Raspberry ketone, 4-(4-Hydroxyphenyl)butan-2-one, Frambinone, Oxyphenalon, 4-(p-Hydroxyphenyl)-2-butanone, 2-Butanone, 4-(4-hydroxyphenyl)-, Rasketone, 4-Hydroxybenzylacetone, p-Hydroxybenzyl acetone, 4-(3-Oxobutyl)phenol, 1-(p-Hydroxyphenyl)-3-butanone, 1-(4-Hydroxyphenyl)-3-butanone, 2-BUTANONE, 4-(p-HYDROXYPHENYL)-, FEMA No. 2588, p-hydroxyphenylbutan-2-one, 4-(4'-hydroxyphenyl)-2-butanone, 7QY1MH15BG, DTXSID5044495, NSC-26515, DTXCID3024495, CHEBI:68656, 4-[4-hydroxyphenyl]butan-2-one, RefChem:875178, 226-806-4, 4-(4-Hydroxyphenyl)-2-butanone, Rheosmin, rasberry ketone, (p-Hydroxybenzyl)acetone, MFCD00002394, Rheosmine, Dobutamine EP Impurity B, NSC 26515, RASPBERRYKETONE, CHEMBL105912, Oxyphenylon, Hydroxyphenylbutanone, p-, EINECS 226-806-4, UNII-7QY1MH15BG, BRN 0776080, Himbeerketon, Raspberryketon, Frambione, 4-(p-Hydroxyphenyl)-2-butanone (natural), AI3-31812, HSDB 8163, Dobutamine Hydrochloride Imp. B (EP); Dobutamine Imp. B (EP); 4-(4-Hydroxyphenyl)butan-2-one; Dobutamine Hydrochloride Impurity B; Dobutamine Impurity B, p-Hydroxy benzylacetone, DOBUTAMINE_met018, (4-Hydroxybenzyl)acetone, Raspberry ketone synthetic, 4-hydroxyphenylbutan-2-one, EC 226-806-4, Raspberry ketone (Standard), SCHEMBL43308, WLN: QR D2V1, P-HYDROXY-BENZYLACETONE, RASPBERRY KETONE [MI], orb1304692, SCHEMBL5534617, RASPBERRY KETONE [VANDF], SCHEMBL28704825, FEMA 2588, HY-N1426R, RASPBERRY KETONE [USP-RS], 4-(4-hydroxyphenyl) butan-2-one, 4-(4-hydroxyphenyl)-butan-2-one, HY-N1426, NSC26515, 1-(4-hydroxy-phenyl)-butan-3-one, Tox21_301459, 4-(4-Hydroxy-phenyl)-butan-2-one, BBL009822, BDBM50315100, MSK014177, s9480, SBB056768, STK801275, AKOS000120840, 4(P-HYDROXYPHENYL)-2-BUTANONE, EBC-152038, FR11967, MSK014177-100A, PS-4612, RASPBERRY KETONE [USP IMPURITY], 2-(4-Hydroxyphenyl)ethyl methyl ketone, 4-(4-Hydroxyphenyl)-2-butanone, 99%, MSK014177-1000A, NCGC00255780-01, AC-24193, SY004032, CAS-5471-51-2, DB-003440, DOBUTAMINE IMPURITY B [EP IMPURITY], CS-0016855, H0604, NS00001157, ST50330630, EN300-18634, 4-(P-HYDROXYPHENYL)-2-BUTANONE [FCC], 4-(P-HYDROXYPHENYL)-2-BUTANONE [FHFI], D70581, 4-(4-Hydroxyphenyl)-2-Butanone 5471-51-2, 4-(4-HYDROXYPHENYL)BUTAN-2-ONE [WHO-DD], AE-473/30684056, F319405, Q414484, Raspberry ketone Solution in Acetonitrile, 100ug/mL, 4-(4-Hydroxyphenyl)-2-butanone, >=98%, FCC, FG, 4-(4-Hydroxyphenyl)-2-butanone, analytical standard, Raspberry ketone Solution in Acetonitrile, 1000ug/mL, Z87001611, DOBUTAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], 4-(4-Hydroxyphenyl)-2-butanone, natural, >=98%, FCC, FG, 4-(4-Hydroxyphenyl)-2-butanone, certified reference material, TraceCERT(R), Raspberry ketone, United States Pharmacopeia (USP) Reference Standard, RACTOPAMINE HYDROCHLORIDE SUSPENSION IMPURITY, RASPBERRY KETONE- [USP IMPURITY], BKZ
Theoretical properties:
molecular_formula: C10H12O2
molecular_weight: 164.20 g/mol
exact_mass: 164.083729621 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless crystals
color: Colorless crystals
odor: Sweet fruity, warm odor resembling raspberry preserve
boiling_point: Decomposes
melting_point: 82.5 °C
solubility: 1 g in 1 mL 98% alcohol
Descriptions:
pubchem: Raspberry ketone is a ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. It has a role as a metabolite, an androgen antagonist, a flavouring agent, a fragrance, a hepatoprotective agent and a cosmetic. It is a member of phenols and a methyl ketone.
chebi: A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics.
chembl: RASPBERRYKETONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Raspberry ketone is a naturally occurring phenolic compound that is the primary aroma compound of red raspberries.