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Name	Raspberry ketone	EINECS	226-806-4
CAS No.	5471-51-2	Density	1.088 g/cm³
PSA	37.30000	LogP	1.91380
Solubility	Insoluble in water; Soluble in ethanol and diethyl ether	Melting Point	81-85 °C(lit.)
Formula	C₁₀H₁₂O₂	Boiling Point	292.2 °C at 760 mmHg
Molecular Weight	164.204	Flash Point	122.9 °C
Transport Information	N/A	Appearance	white to slightly yellow powder or needles
Safety	26-36/37/39	Risk Codes	22
Molecular Structure		Hazard Symbols	Xn, Xi
Synonyms	2-Butanone,4-(p-hydroxyphenyl)- (6CI,7CI,8CI);(4-Hydroxybenzyl)acetone;(p-Hydroxybenzyl)acetone;1-(4-Hydroxyphenyl)-3-butanone;1-(p-Hydroxyphenyl)-3-butanone;4-(3-Oxobutyl)phenol;4-(p-Hydroxyphenyl)-2-butanone;Frambinone;NSC 26515;Oxyphenylon;Raspberryketone;Rheosmin;4-(4-Hydroxyphenyl)-2-butanone;	Article Data	75

Raspberry ketone Synthetic route

: 22214-30-8, 59417-71-9, 3160-35-8
4-(4'-hydroxyphenyl)but-3-en-2-one

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen; acetic acid In methanol at 20℃; for 24h;	99%
With 1 wt.% La2O3 supported titania at 200℃; for 3h; Reagent/catalyst; Temperature; Autoclave;	96%
With N-benzylammonium trifluoroacetate; 1,4-dihydro-2,6-dimethyl-3,5-bis<(methylamino)carbonyl>pyridine In tetrahydrofuran at 70℃; for 16h; Sealed tube;	96%

: 22214-30-8
(E)-4-(4-hydroxyphenyl)-3-buten-2-one

A: 69617-84-1
rac-rhododendrol

B: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel(II) chloride hexahydrate; hydrogen In methanol at 0 - 30℃; under 760.051 Torr; Reagent/catalyst; Solvent; Temperature; Time; Reflux; Inert atmosphere;	A 1% B 98%
With sodium tetrahydroborate; nickel dichloride In methanol	A 38% B 61%
With methanol; formic acid; water; silica gel; palladium dichloride for 12h; Heating;	A 25% B 45%
With baker's yeast; ethanol; D-glucose; water at 36℃; for 92h; Product distribution; var. reducing agents, also labelled;
With formic acid; palladium 10% on activated carbon; ammonium formate In methanol at 50℃; for 15h;

: 4-(4-((tert-butyldimethylsilyl)oxy)phenyl)butan-2-one

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; water; acetonitrile at 20℃; for 12h; pH=7.5;	95%
With water; acetic acid; N,N,N',N'-tetramethylguanidine In tetrahydrofuran; acetonitrile at 20℃;	95%

: 1445875-25-1
4-(4-((triisopropylsilyl)oxy)phenyl)butan-2-one

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; water; acetonitrile at 20℃; for 12h; pH=7.5;	95%
With water; acetic acid; N,N,N',N'-tetramethylguanidine In tetrahydrofuran; acetonitrile at 20℃;	75%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 3h; Autoclave; Inert atmosphere; Green chemistry;	94%
With hydrogen bromide; acetic acid In water at 130℃; for 4h; Reagent/catalyst; Temperature; Solvent;	86%
With hydrogen bromide; acetic acid

: 78-94-4
methyl vinyl ketone

: 108-95-2
phenol

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With 4H2O4S*C18H40N4O12S4 at 40℃; for 8h; Temperature;	94%
With amberlyst-15 In toluene at 20 - 40℃;	58.1%
With 1-butyl-3-methylimidazolium hydrogen sulfate at 20℃; for 24h; Friedel-Crafts Alkylation; regioselective reaction;	51%

: 1-(4-tert.-butoxy-phenyl)-butan-3-one

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
In sulfuric acid	93%

: 74432-58-9
4-(4-(benzyloxy)phenyl)butan-2-one

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol at 18 - 22℃; for 24h;	93%
With 5%-palladium/activated carbon; hydrogen In methanol at 20℃; for 120h; Inert atmosphere;	93%

: Na(1+)*C10H11O2(1-)

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With hydrogenchloride In water Industrial scale;	93%

: 52252-58-1
2-(4-Hydroxybenzyl)acetessigsaeure-ethylester

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 80℃; for 3h; Solvent; Reagent/catalyst;	90%

Raspberry ketone Chemical Properties

IUPAC Name: 4-(4-Hydroxyphenyl)butan-2-one
Molecular Formula: C₁₀H₁₂O₂
Molecular Weight: 164.2 g/mol
EINECS: 226-806-4
Density: 1.088 g/cm³
Melting Point: 81-85 °C
Boiling Point: 200 °C
Flash Point: 122.9 °C
Appearance: white powder
Index of Refraction: 1.535
Molar Refractivity: 46.97 cm³
Molar Volume: 150.8 cm³
Surface Tension: 41.8 dyne/cm
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 6
Exact Mass: 164.08373
MonoIsotopic Mass: 164.08373
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)O
InChI: InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChIKey: NJGBTKGETPDVIK-UHFFFAOYSA-N
EINECS: 226-806-4
Product Categories: Food and Feed Additive;Aromatic Ketones (substituted)
Molecule structure of Raspberry ketone (CAS NO.5471-51-2):

Raspberry ketone Uses

Raspberry ketone (CAS NO.5471-51-2) is the primary aroma compound of red raspberries. It is used in perfumery, in cosmetics, and as a food additive to impart a fruity odor.

Raspberry ketone Toxicity Data With Reference

1.		orl-rat LD50:1320 mg/kg		FCTXAV Food and Cosmetics Toxicology. 8 (1970),349.
2.		ipr-rat LD50:350 mg/kg		FCTXAV Food and Cosmetics Toxicology. 8 (1970),349.

Raspberry ketone Consensus Reports

Reported in EPA TSCA Inventory.

Raspberry ketone Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 2
RTECS: EL8925000
Hazard Note: Irritant
Poison by intraperitoneal route. Moderately toxic by ingestion. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

Raspberry ketone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Raspberry ketone Specification

Raspberry ketone (CAS NO.5471-51-2) is also named as 1-(4-Hydroxyphenyl)-3-butanone ; 1-(p-Hydroxyphenyl)-3-butanone ; 2-Butanone, 4-(4-hydroxyphenyl)- ; 2-Butanone, 4-(p-hydroxyphenyl)- ; 4-(3-Oxobutyl)phenol ; 4-(4-Hydroxyphenyl)-2-butanone ; 4-(p-Hydroxyphenyl)-2-butanone ; 4-(p-Hydroxyphenyl)-2-butanone (natural) ; 4-08-00-00506 (Beilstein Handbook Reference) ; AI3-31812 ; BRN 0776080 ; FEMA No. 2588 ; Frambinone ; Hydroxyphenylbutanone, p- ; NSC 26515 ; Oxyphenalon ; Rasketone ; Rheosmin ; UNII-7QY1MH15BG ; p-Hydroxybenzyl acetone . It is insoluble in water, soluble in ethanol, ether and volatile oil.

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