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Isobutyl butyrate

Names

[ CAS No. ]:
539-90-2

[ Name ]:
Isobutyl butyrate

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

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

MSDS

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

[ 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

Precursor & DownStream

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