3-Methylbutyl hexanoate
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Names
[ CAS No. ]:
2198-61-0
[ Name ]:
3-Methylbutyl hexanoate
[Synonym ]:
hexanoic acid,3-methylbutyl ester
hexanoic acid isopentyl ester
MFCD00027280
Isopentyl caproate
Isopentyl-n-hexanoate
IsoaMyl Hexanoate (contains 2-Methylbutyl Hexanoate)
Isopentyl alcohol,hexanoate
Isopentyl hexanoate
Isoamyl caproate
Isoamyl Hexanoate
3-Methylbutyl hexanoate
Hexansaeure-isopentylester
Hexanoic acid, 3-methylbutyl ester
EINECS 218-600-8
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
225.5±0.0 °C at 760 mmHg
[ Melting Point ]:
250 - 251ºC
[ Molecular Formula ]:
C11H22O2
[ Molecular Weight ]:
186.291
[ Flash Point ]:
82.9±8.3 °C
[ Exact Mass ]:
186.161987
[ PSA ]:
26.30000
[ LogP ]:
4.24
[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.425
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MO8389300
- CHEMICAL NAME :
- Hexanoic acid, isopentyl ester
- CAS REGISTRY NUMBER :
- 2198-61-0
- BEILSTEIN REFERENCE NO. :
- 1760611
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H22-O2
- MOLECULAR WEIGHT :
- 186.33
- WISWESSER LINE NOTATION :
- 5VO2Y1&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: 17,825,1979 ** 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: 17,825,1979
- 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: 17,825,1979
Safety Information
[ Hazard Codes ]:
Xi
[ WGK Germany ]:
2
[ RTECS ]:
MO8389300
[ Packaging Group ]:
III
[ HS Code ]:
29349990
Synthetic Route
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%