ChemicalBook--->CAS DataBase List--->3572-06-3

3572-06-3

3572-06-3 Structure

3572-06-3 Structure
IdentificationMore
[Name]

4-(4-Acetoxyphenyl)-2-butanone
[CAS]

3572-06-3
[Synonyms]

4-(3-OXOBUTYL)PHENYL ACETATE
4-(4-ACETOXYPHENYL)-2-BUTANONE
4-ACETOXYPHENYL-2-BUTANONE
4-(P-ACETOXYPHENYL)-2-BUTANONE
4-(P-HYDROXYPHENYL)-2-BUTANONE ACETATE
ACETIC ACID 4-(3-OXO-BUTYL)-PHENYL ESTER
CUELURE
FEMA 3652
P-(3-OXOBUTYL)PHENYL ACETATE
2-Butanone, 4-(p-hydroxyphenyl)-, acetate
2-Butanone, 4-[4-(acetyloxy)phenyl]-
4-(p-hydroxyphenyl)-2-butanonacetate
4-[4-(acetyloxy)phenyl]-2-butanon
Acetate of 4-(hydroxyphenyl)-2-butanone
acetateof4-(hydroxyphenyl)-2-butanone
ENT-32833
para-(2-Acetylethyl)phenyl acetate
Pherocon qff
pheroconqff
q-Lure
[EINECS(EC#)]

222-682-0
[Molecular Formula]

C12H14O3
[MDL Number]

MFCD00008704
[Molecular Weight]

206.24
[MOL File]

3572-06-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

123-124 °C0.2 mm Hg(lit.)
[density ]

1.099 g/mL at 25 °C(lit.)
[FEMA ]

3652
[refractive index ]

n20/D 1.509(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

neat
[color ]

Colorless to Light yellow
[Odor]

at 100.00 %. berry jam raspberry blueberry
[biological source]

synthetic
[Odor Type]

berry
[JECFA Number]

731
[Merck ]

13,2643
[BRN ]

1961620
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
[InChIKey]

UMIKWXDGXDJQJK-UHFFFAOYSA-N
[SMILES]

CC(=O)CCc1ccc(OC(C)=O)cc1
[LogP]

1.01
[CAS DataBase Reference]

3572-06-3(CAS DataBase Reference)
[NIST Chemistry Reference]

4-(p-Acetoxyphenyl)-2-butanone(3572-06-3)
[EPA Substance Registry System]

3572-06-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H402
[Precautionary statements ]

P273-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

EL8950000
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[HS Code ]

29147000
[Storage Class]

10 - Combustible liquids
[Toxicity]

LD50 in rats (mg/kg): 3038 ±1266 orally; in rabbits (mg/kg): >2025 dermally; LC50 (24 hr) in rainbow trout, bluegill sunfish (ppm): 21, 18 (Beroza)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(4-Acetoxyphenyl)-2-butanone(3572-06-3).msds
Questions And AnswerBack Directory
[Identification]

CAS.No.: 
3572-06-3
FL.No.: 
09.288
FEMA.No.: 
3652
NAS.No.: 
3652
CoE.No.: 
n/a 
EINECS.No.: 
222-682-0 
JECFA.No.: 
731
 
 
[Description]

A yellow liquid with sweet, raspberry, fruity odor.
[Regulatory Status]

CoE: n/a
FDA: n/a
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (2000).
[Usage]

Reported uses (ppm): (FEMA, 1994)
Food Category 
Usual 
Max. 
Chewing.gum 
5
10
Confectionary,.frosting 
0.5
1
Fruit.ices 
0.5
1
Gelatins,.puddings 
1
2
Hard.candy 
1
2
Imitation.dairy 
0.2
1
Jams,.jellies 
0.2
1
Nonalcoholic.beverages 
0.2
0.5
Soft.candy 
0.5
2
[Natural occurrence]

Not reported found in nature.
Hazard InformationBack Directory
[Chemical Properties]

A yellow liquid with sweet, raspberry, fruity odor
[Uses]

As attractant in melon fly traps.
[Definition]

ChEBI: Cuelure is a benzoate ester and a member of phenols.
[Production Methods]

Cuelure is commercially produced through the acetylation of raspberry ketone (4-(4-hydroxyphenyl)-2-butanone). The process involves reacting raspberry ketone with acetic anhydride or acetyl chloride in the presence of a catalyst such as pyridine or sulfuric acid, forming the acetate ester.
[General Description]

4-(3-Oxobutyl)phenyl acetate (4-(4-acetoxyphenyl) -2-butanone) is a standard melon fly attractant.
[Mechanism of action]

Functions as an insect attractant - lure
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating fumes.
[Pesticide Type]

Insecticide; Semiochemical
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-Acetoxyphenyl)-2-butanone(3572-06-3)1HNMR
4-(4-Acetoxyphenyl)-2-butanone(3572-06-3)Raman
4-(4-Acetoxyphenyl)-2-butanone(3572-06-3)FT-IR
4-(4-Acetoxyphenyl)-2-butanone(3572-06-3)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

3572-06-3(sigmaaldrich)
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