Isobutyl butyrate

Modify Date: 2025-08-21 15:53:31

Isobutyl butyrate Structure
Isobutyl butyrate structure
 Common Name Isobutyl butyrate
CAS Number 539-90-2 Molecular Weight 144.211
Density 0.9±0.1 g/cm3 Boiling Point 156.3±8.0 °C at 760 mmHg
Molecular Formula C8H16O2 Melting Point N/A
MSDS Chinese USA Flash Point 45.6±0.0 °C
Symbol GHS02
GHS02		 Signal Word Warning

 Names

Name isobutyl butyrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 156.3±8.0 °C at 760 mmHg
Molecular Formula C8H16O2
Molecular Weight 144.211
Flash Point 45.6±0.0 °C
Exact Mass 144.115036
PSA 26.30000
LogP 2.65
Vapour density 5 (vs air)
Vapour Pressure 2.9±0.3 mmHg at 25°C
Index of Refraction 1.411

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5020000
CHEMICAL NAME :
Butyric acid, isobutyl ester
CAS REGISTRY NUMBER :
539-90-2
BEILSTEIN REFERENCE NO. :
1747322
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H16-O2
MOLECULAR WEIGHT :
144.24
WISWESSER LINE NOTATION :
3VO1Y1&1

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: 17,833,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
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: 17,833,1979
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: 17,833,1979

 Safety Information

Symbol GHS02
GHS02
Signal Word Warning
Hazard Statements H226-H412
Precautionary Statements P273
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes N
Risk Phrases R10
Safety Phrases S16-S27-S36/37/39-S61-S60
RIDADR UN 3272 3/PG 3
WGK Germany 2
RTECS ET5020000
Packaging Group III
Hazard Class 3.2

 Articles1

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 Synonyms

Butyric Acid Isobutyl Ester
Isobutyl 3-methylpropanoate
MFCD00027134
2-methylpropyl butanoate
EINECS 208-729-8
Isobutyl butyrate
Butanoic acid, 2-methylpropyl ester
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