n-Butyl butanoate
Names
[ CAS No. ]:
109-21-7
[ Name ]:
n-Butyl butanoate
[Synonym ]:
Butyl butylate
Butanoic acid, butyl ester
n-butyl butyrate
Butyl butyrate
1-Butyl butyrate
Butyric acid n-butyl ester
Butanoic acid butyl ester
n-butyl n-butyrate
butyl butanoate
n-Butyl n-butanoate
MFCD00009450
butyric acid butyl ester
EINECS 203-656-8
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
165.0±0.0 °C at 760 mmHg
[ Melting Point ]:
-92 °C
[ Molecular Formula ]:
C8H16O2
[ Molecular Weight ]:
144.211
[ Flash Point ]:
49.4±0.0 °C
[ Exact Mass ]:
144.115036
[ PSA ]:
26.30000
[ LogP ]:
2.83
[ Vapour Pressure ]:
1.9±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.413
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ES8120000
- CHEMICAL NAME :
- Butyric acid, butyl ester
- CAS REGISTRY NUMBER :
- 109-21-7
- BEILSTEIN REFERENCE NO. :
- 1747101
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C8-H16-O2
- MOLECULAR WEIGHT :
- 144.24
- WISWESSER LINE NOTATION :
- 4OV3
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,521,1979 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,521,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,521,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 9520 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,521,1979 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 20 mg/m3 JAN 1993
Safety Information
[ Symbol ]:
GHS02
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H226
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
F+
[ Risk Phrases ]:
R10
[ Safety Phrases ]:
S2
[ RIDADR ]:
UN 3272 3/PG 3
[ WGK Germany ]:
2
[ RTECS ]:
ES8120000
[ Packaging Group ]:
III
[ Hazard Class ]:
3
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Biotechnol. Prog. 29(6) , 1416-21, (2013)
Butyl butyrate is an ester present in pineapple flavor, which is very important for the food and beverages industries. In this work, the optimization of the reaction of butyl butyrate synthesis cataly...
Screening of food grade lipases to be used in esterification and interesterification reactions of industrial interest.Appl. Biochem. Biotechnol. 160 , 1146-1156, (2010)
Seven food grade commercially available lipases were immobilized by covalent binding on polysiloxane-polyvinyl alcohol (POS-PVA) hybrid composite and screened to mediate reactions of industrial intere...
Rate coefficients for reactions of OH and Cl with esters.ChemPhysChem 11(18) , 4097-102, (2010)
Rate coefficients for the gas-phase reactions of OH radicals with n-propyl butyrate (k(1)), n-butyl propionate (k(2)) and n-butyl butyrate (k(3)) are measured by both absolute and relative methods. Th...