raspberry ketone

CAS No. 5471-51-2

Formula: C10H12O2
Basic Info

Raspberry ketone is a natural phenolic compound that is the primary aroma compound of red raspberries.

Formula
C10H12O2
Molecular Weight
164.201
Exact Mass
164.084
LogP
1.9138
PSA
37.3
Synonyms

Rheosmin

4-hydroxy benzyl acetone

OXYPHENONE

p-Hydroxy benzylacetone

FEMA 2588

RASBERRY KETONE

2-Butanone, 4-(4-hydroxyphenyl)-

Raspberry ketone

OXANONE

Raspberry keton

Frambinone

Oxyphenalon

4-(4-Hydroxyphenyl)-2-butanone

OXYPHENYLON

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Properties
Appearance & Physical State
white powder
Density
1.088 g/cm3
Boiling Point
200ºC
Melting Point
82-84ºC
Flash Point
122.9ºC
Refractive Index
1.535
Stability
Stable under normal temperatures and pressures.
Storage Condition
Store in a tightly closed container. Store in a cool, dry area away from incompatible substances.
Safety Info
RTECS
EL8925000
Safety Statements
26-36/37/39
WGK Germany
2
Risk Statements
R22
HS Code
2914501100
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
1554.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min
Reference
Lalel, H.J.D.Singh, Z.Chye Tan, S.Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturityPostharvest Biol. Technol.2003, 29, 2, 205-218.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1555.
Temperature Control
Method
temperature ramp
Comments
15. m/0.32 mm/0.5 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min
Reference
Zhou, Q.Wintersteen, C.L.Cadwallader, K.R.Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honeyJ. Agric. Food Chem.2002, 50, 7, 2016-2021.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1550.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, H2, 3. K/min; T<sub>start</sub>: 60. C; T<sub>end</sub>: 240. C
Reference
Nogueira, P.C.L.Bittrich, V.Shepherd, G.J.Lopes, A.V.Marsaioli, A.J.The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae)Phytochemistry2001, 56, 5, 443-452.
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-Wax
Retention index
2982.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
Reference
Wirth, J.Guo, W.Baumes, R.Günata, Z.Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivarsJ. Agric. Food Chem.2001, 49, 6, 2917-2923.
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
CP-Wax 58CB
Retention index
2952.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.22 μm, He, 3. K/min; T<sub>start</sub>: 40. C; T<sub>end</sub>: 220. C
Reference
Pabst, A.Barron, D.Etiévant, P.Schreier, P.Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulpJ. Agric. Food Chem.1991, 39, 1, 173-175.
Synthesis Route
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
1320 mg/kg
Toxic Effects
Behavioral--altered sleep time (including change in righting reflex)<br>Behavioral--analgesia
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 8,349,1970
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - rat
Dose/Duration
350 mg/kg
Toxic Effects
Behavioral--altered sleep time (including change in righting reflex)<br>Behavioral--analgesia
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 8,349,1970

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