Isobutyl isovalerate
Names
[ CAS No. ]:
589-59-3
[ Name ]:
Isobutyl isovalerate
[Synonym ]:
2-Methylpropyl isovalerate
Isobutyl 3-methylpropanoate
Isovaleric acid, isobutyl ester
UNII-6VCJ0UB168
Butanoic acid, 3-methyl-, 2-methylpropyl ester
EINECS 209-653-8
2-Methylpropyl 3-methylbutyrate
Isobutyl 3-methylbutanoate
2-Methylpropyl 3-methylbutyrate Isobutyl 3-methyl butyrate
2-methylpropyl 3-methylbutanoate
MFCD00048349
Isobutyl isopentanoate
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
171.0±0.0 °C at 760 mmHg
[ Molecular Formula ]:
C9H18O2
[ Molecular Weight ]:
158.238
[ Flash Point ]:
50.5±5.4 °C
[ Exact Mass ]:
158.130676
[ PSA ]:
26.30000
[ LogP ]:
3.00
[ Vapour Pressure ]:
1.4±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.415
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NY1506000
- CHEMICAL NAME :
- Isovaleric acid, isobutyl ester
- CAS REGISTRY NUMBER :
- 589-59-3
- BEILSTEIN REFERENCE NO. :
- 1702649
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H18-O2
- MOLECULAR WEIGHT :
- 158.27
- WISWESSER LINE NOTATION :
- 1Y1&1VO1Y1&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 :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982 ** 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 :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 7755 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 :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9651 No. of Facilities: 11 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 193 (estimated) No. of Female Employees: 11 (estimated)
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
2
[ RTECS ]:
NY1506000
[ HS Code ]:
2915900090
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2915900090
[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%