CAS No.5471-51-2,Raspberry ketone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5471-51-2
Name:	Raspberry ketone
Article Data:	75
Cas Database

Formula:	C₁₀H₁₂O₂
Molecular Weight:	164.204
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;
EINECS:	226-806-4
Density:	1.088 g/cm³
Melting Point:	81-85 °C(lit.)
Boiling Point:	292.2 °C at 760 mmHg
Flash Point:	122.9 °C
Solubility:	Insoluble in water; Soluble in ethanol and diethyl ether
Appearance:	white to slightly yellow powder or needles
Hazard Symbols:	Xn, Xi
Risk Codes:	22
Safety:	26-36/37/39
PSA:	37.30000
LogP:	1.91380

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%

Raw Materials

540-38-5

22214-30-8

22409-85-4

78-94-4

123-08-0

598-32-3

108-95-2

104-20-1

Downstream Products

104-20-1

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Chemistry

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):

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.

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

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.