Butyl butyrate

Butyl butyrate[1]

Names
Preferred IUPAC name

Butyl butanoate

Other names

Butyl butyrate
1-Butyl butyrate
n-Butyl butyrate
n-Butyl n-butyrate
Butanoic acid butyl ester
Butyric acid butyl ester
n-Butyl butanoate

Identifiers

CAS Number

* 109-21-7 Y

3D model (JSmol)

* Interactive image

ChEBI |

* CHEBI:87429 N

ChemSpider |

* 7694 Y

ECHA InfoCard | 100.003.325
EC Number |

* 203-656-8

PubChem CID

* 7983

RTECS number |

* ES8120000

UNII |

* 1BHV00T1M4 Y

UN number | 3082

CompTox Dashboard (EPA)

* DTXSID7041702

InChI

* InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 Y

Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Y

* InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3

Key: XUPYJHCZDLZNFP-UHFFFAOYAI

SMILES

* CCCC(=O)OCCCC

Properties

Chemical formula

| C8H16O2
Molar mass | 144.214 g·mol−1
Density | 0.8692 g/cm3 at 20 °C
Melting point | −91.5 °C (−132.7 °F; 181.7 K)
Boiling point | 165 °C (329 °F; 438 K)

Solubility in water

| insoluble
Hazards
GHS labelling:

Pictograms

Signal word

| Warning

Hazard statements

| H226

Precautionary statements

| P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
NFPA 704 (fire diamond)  |

Flash point | 49 °C (120 °F; 322 K)

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

N verify (what is YN ?)

Infobox references

Chemical compound

Butyl butyrate, or butyl butanoate, is an organic compound that is an ester formed by the condensation of butyric acid and n-butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Its refractive index is 1.406 at 20 °C.

## Aroma

[edit]

Like other volatile esters, butyl butyrate has a pleasant aroma. It is used in the flavor industry to create sweet fruity flavors that are similar to that of pineapple. It occurs naturally in many kinds of fruit including apple, banana, berries, pear, plum, and strawberry.

## Safety

[edit]

It is a marine pollutant.[2] It mildly irritates the eyes and skin.[2]

## References

[edit]

1. ^ The Merck Index, 12th Edition, 1591
2. ^ a b BUTYL BUTYRATE, at the site cameochemicals.noaa.gov

* v
* t
* e

Esters

Methyl esters|

* Methyl formate
* Methyl acetate
* Methyl propionate
* Methyl butyrate
* Methyl pentanoate
* Methyl hexanoate
* Methyl benzoate

Ethyl esters|

* Ethyl formate
* Ethyl acetate
* Ethyl propionate
* Ethyl butyrate
* Ethyl pentanoate
* Ethyl hexanoate
* Ethyl heptanoate
* Ethyl octanoate
* Ethyl decanoate
* Ethyl palmitate
* Ethyl benzoate

Propyl esters|

* Propyl acetate
* Propyl propanoate
* Propyl benzoate
* Isopropyl acetate
* Isopropyl palmitate

Butyl esters|

* Butyl acetate
* Butyl butyrate
* Isobutyl acetate
* sec-Butyl acetate
* tert-Butyl acetate

Amyl esters|

* Amyl acetate
* Pentyl propanoate
* Pentyl butyrate
* Pentyl pentanoate
* Pentyl hexanoate
* Isoamyl formate
* Isoamyl acetate
* Sec-Amyl acetate

Hexyl esters|

* Hexyl acetate

Phenyl esters|

* Phenyl acetate

Heptyl esters|

* Heptyl acetate
* Heptyl butyrate

Benzyl esters|

* Benzyl acetate
* Benzyl benzoate

*[CID]: Compound ID
*[EPA]: U.S. Environmental Protection Agency
*[H226]: H226: Flammable liquid and vapour
*[P210]: P210: Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
*[P233]: P233: Keep container tightly closed.
*[P240]: P240: Ground and bond container and receiving equipment.
*[P241]: P241: Use explosion-proof electrical/ventilating/light/.../equipment.
*[P242]: P242: Use only non-sparking tools.
*[P243]: P243: Take precautionary measures to prevent static discharges.
*[P280]: P280: Wear protective gloves/protective clothing/eye protection/face protection.
*[P303+P361+P353]: P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water [or shower].
*[P370+P378]: P370+P378: In case of fire: Use ... to extinguish.
*[P403+P235]: P403+P235: Store in a well ventilated place. Keep cool.
*[P501]: P501: Dispose of contents/container to ...
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