| Identification | More | [Name]
Hexyl butyrate | [CAS]
2639-63-6 | [Synonyms]
BUTYRIC ACID HEXYL ESTER
FEMA 2568
HEXYL BUTANOATE
HEXYL BUTYRATE
HEXYL-N-BUTYRATE
N-BUTYRIC ACID N-HEXYL ESTER
N-HEXYL BUTYRATE
N-HEXYL N-BUTANOATE
1-Hexyl butyrate
1-hexylbutyrate
Butanoicacid,hexylester
n-Hexyl butanoate
n-Hexyl n-butyrate
n-hexylbutanoate
HEXYL BUTYRATE 98+% NATURAL
HEXYL BUTYRATE 98+%
Hexylbutyrat
HEXYL-N-BUTYRATE, NATURAL | [EINECS(EC#)]
220-136-6 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00048884 | [Molecular Weight]
172.26 | [MOL File]
2639-63-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
-78°C | [Boiling point ]
205 °C(lit.) | [density ]
0.851 g/mL at 25 °C(lit.)
| [vapor pressure ]
30Pa at 20℃ | [FEMA ]
2568 | [refractive index ]
n20/D 1.417(lit.)
| [Fp ]
178 °F
| [storage temp. ]
Store below +30°C. | [form ]
neat | [color ]
Colorless to Almost colorless | [Odor]
at 10.00 % in dipropylene glycol. green sweet fruity apple waxy soapy | [biological source]
synthetic | [Odor Type]
green | [Water Solubility ]
20.3mg/L at 20℃ | [Thermal Conductivity]
0.137 W/(m·K) at 25 ℃ | [JECFA Number]
153 | [Henry's Law Constant]
1.1×10-2 mol/(m3Pa) at 25℃, Dupeux et al. (2022) | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3 | [InChIKey]
XAPCMTMQBXLDBB-UHFFFAOYSA-N | [SMILES]
CCCCCCOC(=O)CCC | [LogP]
4.4 at 35℃ | [CAS DataBase Reference]
2639-63-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, hexyl ester(2639-63-6) | [EPA Substance Registry System]
2639-63-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H227 | [Precautionary statements ]
P210-P280-P370+P378-P403+P235-P501 | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
3272 | [WGK Germany ]
2
| [RTECS ]
ET4203000
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
29156000 | [Storage Class]
10 - Combustible liquids | [Toxicity]
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Hazard Information | Back Directory | [Description]
Hexyl butyrate has a characteristic fruity (apricot) odor and a sweet
taste suggestive of pineapple. May be synthesized from butyric
acid and n-hexyl alcohol in the presence of HCL. | [Chemical Properties]
Hexyl butyrate has a characteristic fruity (apricot) odor and sweet taste suggestive of pineapple.
| [Chemical Properties]
Hexyl Butyrate is a liquid with a
powerful fruity odor. It has been identified in a number of fruits and berries and
is an important constituent of fruit flavor compositions. | [Occurrence]
Reported found in the essential oils of lavender and lavandin and in the oil from fruits of Heracleum giganteum. Also reported found in apple, apricot, banana, citrus peel oils, cranberry, guava, grapes, strawberry fruit and jam, thymus,
Gruyere cheese, beer, cognac, rum, cider, tea, passion fruit, plum, plumcot, starfruit, mango, mountain papaya, Chinese quince peel
and hog plum (Spondias mombins L.) | [Uses]
GB 2760-96 specifies Hexyl butyrate as a permitted edible flavoring. It is mainly used in the formulation of flavorings for pineapple, apple, citrus, melon, kiwi, pear, and strawberry. | [Definition]
ChEBI: A fatty acid ester obtained by the formal condensation of hexanol with butyric acid. | [Preparation]
From butyric acid and n-hexyl alcohol in the presence of HCl
| [Aroma threshold values]
Detection: 250 ppb | [Taste threshold values]
Taste characteristics at 10 ppm: fruity, green, waxy, fatty and vegetative. | [Flammability and Explosibility]
Notclassified |
|
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J & K SCIENTIFIC LTD.
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Energy Chemical
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jiliang chemicals
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Maya High Purity Chemicals
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Sigma-Aldrich
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