Product Identification

Product Name

Hexanoic acid 3-methylbutyl ester

Synonyms

2-Bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-6-chlorophenol
3-Methylbutyl hexanoate
4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chlorophenol] S,S-dioxide
Hexanoic acid, 3-methylbutyl ester
Isoamyl hexanoate
Isopentyl caproate
Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, S,S-dioxide

CAS

2198-61-0

CAS

2553-71-1

Formula

C11H22O2

Formula

C19H10Br2Cl2O5S

Molecular Weight

581.08000000000004

Molecular Weight

186.33

EINECS

218-600-8

EINECS

219-861-0

RTECS

MO8389300

RTECS Class

Primary Irritant

Beilstein/Gmelin

365559

Beilstein/Gmelin

1760611

Beilstein Reference

2-19-00-00105

Beilstein Reference

3-02-00-00727

Physical and Chemical Properties

Appearance

Black powder.

Appearance

Clear liquid.

Solubility in water

Insoluble

Melting Point

250 - 251

Boiling Point

603

Boiling Point

226

Vapor Pressure

4E-15 (25 C)

Vapor Pressure

0.09 (25 C)

Density

0.86 g/mL (25 C)

pKa/pKb

6.05 (pKa)

Partition Coefficient

4.35

Heat Of Vaporization

46.2 kJ/mol

Heat Of Vaporization

93.0 kJ/mol

Usage

Flavoring.

Refractive Index

1.4175 (20 C)

First Aid Measures

Ingestion

If swallowed, wash out mouth with water provided person is conscious. Call a physician.

Ingestion

If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.

Inhalation

Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.

Inhalation

If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen.

Inhalation

The toxicological properties of this substance have not been fully investigated.

Skin

No information regarding skin irritation and other potential effects was found.

Skin

Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.

Skin

In case of contact, immediately wash skin with soap and copious amounts of water.

Eyes

No information regarding eye irritation and other potential effects was found.

Eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.

Eyes

In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes.

Handling and Storage

Storage

Keep tightly closed. Keep away from heat and open flame.

Storage

Store in a cool, dry place. Keep container closed when not in use.

Handling

Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.

Hazards Identification

Ingestion

May be harmful if swallowed.

Ingestion

The toxicological properties of this substance have not been fully investigated.

Inhalation

Material may be irritating to mucous membranes and

Skin

May cause skin irritation. May be harmful if absorbed through the skin.

Eyes

May cause eye irritation.

Hazards

Combustible liquid. Emits toxic fumes under fire conditions.

UN (DOT)

1993

Exposure Controls/Personal Protection

Personal Protection

Compatible chemical-resistant gloves.

Personal Protection

Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin.

Respirators

Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

Respirators

Government approved respirator.

Fire Fighting Measures

Flash Point

318

Flash Point

83

Fire Fighting

Extinguish using Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes.

Fire Fighting

Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing media: Use agent most appropriate to extinguish fire.

Fire Potential

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Accidental Release Measures

Small spills/leaks

Clean up spills immediately, using the appropriate protective equipment.

Small spills/leaks

Cover with dry-lime, sand, or soda ash. Place in covered containers using non-sparking tools and transport outdoors. Ventilate area and wash spill site after material pickup is complete.

Stability and Reactivity

Disposal Code

3

Stability

Stable at normal temperatures and pressures.

Stability

Stable under normal temperatures and pressures.

Incompatibilities

Strong oxidizing agents.

Decomposition

Carbon monoxide, Carbon dioxide.

Decomposition

Irritating and toxic fumes and gases.

Combustion Products

Fire may produce irritating, corrosive and/or toxic gases.

Transport Information

UN Number

1993

Packing Group

III

HS Code

2915 90 80

HS Code

2934 99 90