n-Butyl butanoate

Modify Date: 2024-01-08 19:17:34

n-Butyl butanoate Structure
n-Butyl butanoate structure
 Common Name n-Butyl butanoate
CAS Number 109-21-7 Molecular Weight 144.211
Density 0.9±0.1 g/cm3 Boiling Point 165.0±0.0 °C at 760 mmHg
Molecular Formula C8H16O2 Melting Point -92 °C
MSDS Chinese USA Flash Point 49.4±0.0 °C
Symbol GHS02
GHS02		 Signal Word Warning

 Names

Name butyl butanoate
Synonym More Synonyms

 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

 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
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

 Articles11

More Articles
Optimized butyl butyrate synthesis catalyzed by Thermomyces lanuginosus lipase.

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...

 Synonyms

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
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