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2198-61-0

2198-61-0 structure
2198-61-0 structure

Name 3-methylbutyl hexanoate
Synonyms 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
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

Section I.Chemical Product and Company Identification
Chemical Name n-Caproic Acid Isoamyl Ester
Portland OR
SynonymIso-amyl n-Caproate
CH3(CH2)4COO(CH2)2CH(CH3)2
Chemical Formula
CAS Number2198-61-0

Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
n-Caproic Acid Isoamyl Ester2198-61-0---------- Not available.Rabbit LD50 (dermal) >5000mg/kg
Rat LD50 (oral) >5000mg/kg

Section III. Hazards Identification
Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
many human organs.

Section IV.First Aid Measures
Eye Contact
Check for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping
eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of
15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively.
Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively.
Wash any contaminated clothing before reusing.
InhalationIf the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
Not available.
FlammabilityCombustible.Auto-Ignition
Flash PointsFlammable Limits
85°C (185°F).Not available.
Combustion Products
These products are toxic carbon oxides (CO, CO 2).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Continued on Next Page
n-Caproic Acid Isoamyl Ester

Section VI.Accidental Release Measures
Spill CleanupCombustible material.
InstructionsKeep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Finish cleaning the
spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities
for assistance on disposal.

Section VII. Handling and Storage
Handling and StorageCOMBUSTIBLE. Handle with caution and minimize exposure. Keep away from heat and sources of ignition. Mechanical
exhaust required. Avoid excessive heat and light. DO NOT ingest. Do not breathe gas, fumes, vapor or spray. Wear
Information
suitable protective clothing. If ingested, seek medical advice immediately and show the container or the label. Treat
symptomatically and supportively.
Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product.
Exposure LimitsNot available.

Section IX. Physical and Chemical Properties
Physical state @ 20°CColorless liquid.Solubility
Not available.
0.86
Specific Gravity
Molecular WeightPartition Coefficient
186.29Not available.
Boiling PointVapor Pressure
222°C (431.6°F)Not available.
Melting PointNot available.Vapor DensityNot available.
Refractive IndexNot available.VolatilityNot available.
Critical TemperatureNot available.OdorNot available.
ViscosityNot available.TasteNot available.

Section X.Stability and Reactivity Data
Stability
This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with strong oxidizing agents.

Section XI. Toxicological Information
RTECS NumberMO8389300
Routes of ExposureEye contact. Ingestion. Inhalation.
Toxicity DataRabbit LD50 (dermal) >5000mg/kg
Rat LD50 (oral) >5000mg/kg
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
many human organs.
Acute Toxic EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
n-Caproic Acid Isoamyl Ester

Section XII.Ecological Information
EcotoxicityNot available.
Environmental FateNot available.

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of the substance.

Section XIV. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
PIN NumberNot applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG)Not applicable.
DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
(EPA)
WHMIS Classification
WHMIS CLASS B-3: Combustible liquid with a flash point between 35°C (100°F) and 93.3°C (200°F).
(Canada)
EINECS Number (EEC) 218-600-8
EEC Risk StatementsNot available.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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
Hazard Codes Xi
WGK Germany 2
RTECS MO8389300
Packaging Group III
HS Code 29349990
Precursor  2

DownStream  0

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%