ChemicalBook--->CAS DataBase List--->2051-78-7

2051-78-7

2051-78-7 Structure

2051-78-7 Structure
IdentificationMore
[Name]

ALLYL BUTYRATE
[CAS]

2051-78-7
[Synonyms]

ALLYL BUTYRATE
ALLYL N-BUTYRATE
BUTYRIC ACID ALLYL ESTER
FEMA 2021
VINYL CARBINYL BUTYRATE
Allyl butanoate
allylbutanoate
Allylester kyseliny maselne
allylesterkyselinymaselne
butanoicacid,2-propenylester
butanoicacidprop-2-enylester
ALLYL BUTYRATE 98+%
Butyric acid 2-propenyl ester
Butyric acid allyl
[EINECS(EC#)]

218-129-8
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD00009395
[Molecular Weight]

128.17
[MOL File]

2051-78-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-62.68°C (estimate)
[Boiling point ]

44-45 °C/15 mmHg (lit.)
[density ]

0.902 g/mL at 25 °C(lit.)
[vapor pressure ]

13.332hPa at 39.67℃
[FEMA ]

2021
[refractive index ]

n20/D 1.414(lit.)
[Fp ]

107 °F
[storage temp. ]

2-8°C
[Odor]

at 10.00 % in dipropylene glycol. sweet pungent fruity green pineapple waxy tropical
[Odor Type]

fruity
[Water Solubility ]

1.233g/L at 25℃
[JECFA Number]

2
[LogP]

2.2
[CAS DataBase Reference]

2051-78-7(CAS DataBase Reference)
[EPA Substance Registry System]

Allyl butyrate (2051-78-7)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R21/22:Harmful in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

3
[RTECS ]

ES5775000
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

2915600000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Allyl alcohol-->Butyric Acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

allyl butyrate(2051-78-7).msds
Questions And AnswerBack Directory
[Identification]

CAS.No.: 
2051-78-7 
FL.No.: 
9.054
FEMA.No.: 
2021
NAS.No.: 
2021
CoE.No.: 
280
EINECS.No.: 
218-129-8 
JECFA.No.: 
2
 
 
[Description]

Allyl butyrate has a peach/apricot odor and is used as a flavoring ingredient and adjuvant.
[Regulatory Status]

CoE: Approved. Bev.: 1 ppm; Food: 3 ppm
FDA: 21 CFR 172.515
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1996).
[Usage]

Reported uses (ppm): (FEMA, 1994)
Food Category 
Usual 
Max. 
Alcoholic beverages 
0.67
1.33
Baked goods 
2.04
4.55
Frozen dairy 
1.15
2.28
Gelatins, puddings 
0.92
1.7
Nonalcoholic beverages 
0.65
1.47
Soft candy 
1.84
3.56
[Natural occurrence]

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

Allyl butyrate has a peach/apricot odor and is used as a flavoring ingredient and adjuvant.
[Definition]

ChEBI: Allyl butyrate is a fatty acid ester.
[Preparation]

From allyl alcohol and butyric acid in the presence of concentrated H2SO4 or p-toluenesulfonic acid in benzene.
[Taste threshold values]

Taste characteristics at 10 ppm: fruity, green, tropical with sweet, fermented waxy nuances
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

ALLYL BUTYRATE(2051-78-7)MS
ALLYL BUTYRATE(2051-78-7)1HNMR
ALLYL BUTYRATE(2051-78-7)13CNMR
ALLYL BUTYRATE(2051-78-7)IR1
ALLYL BUTYRATE(2051-78-7)IR2
ALLYL BUTYRATE(2051-78-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2051-78-7(sigmaaldrich)
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