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
Precursor
DownStream
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