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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.
[Aroma]

Sweet-ethereal odor with somewhat fruity undertone. Could find use in perfumery, but the matetial as such is not very interesting or characteristic, does not offer any specific olfactory advantage.
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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