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109-21-7
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???(??):
?????;?????;?????;???????;?????;?? ?????;n-??n-?????
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Butyl butyrate
???(??):
Butanoic acid, butyl ester;BUTYL BUTANOATE;n-Butyl butanoate;N-BUTYL BUTYRATE;FEMA 2186;Butanoicacidbutylester;Butyl butylate;1-Butyl butyrate;N-BUTYL N-BUTYRATE;BUTYL BUTYRATE, NATURAL
CBNumber:
CB8376985
???:
C8H16O2
??? ??:
144.21
MOL ??:
109-21-7.mol
MSDS ??:
SDS

????? ??

???
-92 °C
?? ?
164-165 °C (lit.)
??
0.869 g/mL at 25 °C (lit.)
???
1.32hPa at 20℃
???
n20/D 1.406(lit.)
FEMA
2186 | BUTYL BUTYRATE
???
121 °F
?? ??
Flammables area
???
0.50g/L
??? ??
??
??
??~??? ??
??
100.00%??. ?? ??? ???? ?? ?? ?? ?? ?? ?? ??? ?? ??
?? ??
?? ??
???? ??
synthetic
????
1%(V)
Odor Threshold
0.0048ppm
???
?? ?????. (1g/L).
Merck
14,1556
JECFA Number
151
BRN
1747101
Henry's Law Constant
1.7×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
??? ?? ??
??
InChI
1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKey
XUPYJHCZDLZNFP-UHFFFAOYSA-N
SMILES
CCCCOC(=O)CCC
LogP
2.16 at 20℃
CAS ??????
109-21-7(CAS DataBase Reference)
NIST
Butyl butyrate(109-21-7)
EPA
Butyl butyrate (109-21-7)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
?? ???? ?? 10
????? 2-24/25
????(UN No.) UN 3272 3/PG 3
WGK ?? 2
RTECS ?? ES8120000
TSCA TSCA listed
?? ?? 3
???? III
HS ?? 29156000
???? ??? 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Flam. Liq. 3
?? mouse,LD50,intraperitoneal,8900mg/kg (8900mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 521, 1979.
???? ?? KE-04225
????(GHS): Flame (GHS02)Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H226 ??? ?? ? ?? ??? ?? ?? 3 ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H412 ??? ??? ?? ????? ??? ?? ????? ?? - ?? ?? 3 P273, P501
??????:
P210 ?·???·??·????? ????? - ?? ???.
P233 ??? ??? ?????. ??? ??? ? ?? ?? ??? ???? ?????.
P240 ??? ????? ?? ? ??????.
P241 ?? ??? ??[???/??/??/...]?(?) ?????.
P242 ???? ???? ?? ??? ?????
P243 ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P273 ???? ???? ???.
P280 ????/???/???/?????? ?????.
P303+P361+P353 ??(?? ????)? ??? ??? ?? ??? ??? ????? ??? ?? ????/?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P332+P313 ?? ??? ??? ???? ??· ??? ????.
P337+P313 ?? ?? ??? ???? ???? ??· ??? ????.
P370+P378 ?? ? ?? ?? ?? (Section 5. ??, ??? ????? ??? ???)?(?) ?????.
P403+P235 ??? ? ?? ?? ???? ???? ?????.
P501 ...? ??? / ??? ?? ???.
NFPA 704
2
1 0

????? C??? ??, ??, ??

????

? (1) ?? : ? ??? ??? 0.867~0.871??? ??.

??(2) ??? : ? ??? ??? ? 1.405~1.407??? ??.

??(3) ?? : ? ?? 1mL? 70% ??? 4mL? ?? ?, ? ?? ????? ??.

??(4) ?? : ? ??? ??? ????? ? ?????? ?? ??? ?, 1 ????? ??.

????

? ? ?? 1mL? 10% ?????????? 5mL? ?? ????? ??? ???? ???? ??? ??? ???? ?????? ???. ? ?? ?? ?? ?????? ????? ??? ??? ??? ????.

???

? ? ?? ? 1g? ??? ?? ????? ? ????? ? ?????????? ?? ????.

0.5N ?????????? 1mL = 72.11mg C8H16O2

??? ??

Butyl Butyrate is a liquid with a sweet, fruity odor. It is a volatile constituent of many fruits and honey and is used in fruit flavor compositions.

??

Reported found in fresh apple, apple juice, banana, orange juice, orange peel oil, melon, strawberry, Passiflora mollisima, soybean, honey and blue cheese.

??

Butyl butyrate can be used as a reactant to synthesize:
N-(Phenylmethyl)butanamide by reacting with benzylamine via ester-amide exchange reaction in the presence of supported graphene oxide catalyst.
Cyclohexyl butyrate by acylation reaction with cyclohexanol using a ruthenium pincer PNN complex catalyst.
Butyl ether by triiron dodecacarbonyl catalyzed hydrosilylation reaction.

?? ??

By passing vapors of n-butyl alcohol over MnO2 or ZnO at 400°C, also by passing vapors of n-butyl alcohol over CuO-VO at 180 to 200°C.

??

ChEBI: A butanoate ester of butan-1-ol.

?? ??

A colorless liquid. Insoluble in water. A marine pollutant. Poses a threat to the aquatic environment. Immediate steps should be taken to prevent spread to the environment. May penetrate soils and contaminate groundwater and nearby waterways. Mildly irritates the eyes and skin.

??? ?? ??

Insoluble in water.

?? ???

Butyl butyrate reacts with acids to liberate heat along with butyl alcohol and butyric acid. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides. May attack some forms of plastics [USCG, 1999].

???

Irritant and narcotic. Moderate fire risk.

????

Inhalation or ingestion causes headache, dizziness, nausea, vomiting, and narcosis. Contact with liquid irritates eyes.

????

Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot.

Safety Profile

Moderately toxic via intraperitoneal route. Mildly toxic by ingestion. Moderately irritating to eyes, sh, and mucous membranes by inhalation. Narcotic in hgh concentrations. Flammable liquid. To fight fire, use alcohol foam, foam, CO2, dry chemical. Incompatible with oxidizing materials. When heated to decomposition it emits acrid and irritating fumes.

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