Product Identification

Product Name

(3alpha,5beta,12alpha)-3,12-Dihydroxy-cholan-24-oic acid

Synonyms

1,3-Isobenzofurandione, hexahydro-5-methyl-
17b-[1-Methyl-3-carboxypropyl]-etiocholane-3a,12a-diol
3a,12a-Dihydroxy-5b-cholanic acid
5-Methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Cholan-24-oic acid, 3,12-dihydroxy-, (3a,5b,12a)-
Degalol
Hexahydro-4-methylphthalic anhydride
Pyrochol
Septochol

CAS

83-44-3

CAS

19438-60-9

Formula

C24H40O4

Formula

C9H12O3

Molecular Weight

168.19

Molecular Weight

392.58

EINECS

201-478-5

EINECS

243-072-0

RTECS

FZ2100000

RTECS Class

Tumorigen; Mutagen; Reproductive Effector

Merck

13,2916

Beilstein/Gmelin

83443

Beilstein/Gmelin

3219882

Beilstein Reference

4-10-00-01608

Beilstein Reference

5-17-11-00083

EC Index Number

607-241-00-6

EC Class

Irritant; Sensitising

Physical and Chemical Properties

Appearance

Colorless to light yellow liquid.

Appearance

White solid.

Solubility in water

Insoluble

Solubility in water

Slightly soluble

Melting Point

190

Boiling Point

300

Boiling Point

504

Vapor Pressure

0.0012 (25 C)

Density

1.16 g/cm3

pKa/pKb

4.76 (pKa)

Partition Coefficient

.73

Partition Coefficient

4.2

Heat Of Vaporization

54.0 kJ/mol

Usage

Emulsifying agent in food, precursor for organic synthesis of cortisone.

First Aid Measures

Ingestion

Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.

Ingestion

Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.

Inhalation

Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.

Inhalation

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

Inhalation

Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.

Skin

Causes skin irritation. The toxicological properties of this material have not been fully investigated.

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

Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.

Eyes

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

Eyes

Causes eye irritation.

Handling and Storage

Storage

Store in a cool, dry place. Store in a tightly closed container.

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

Handling

Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam.

Handling

Wash thoroughly after handling. Wash hands before eating. Use only in a well ventilated area. Avoid contact with skin and eyes. Do not breathe dust, vapor, mist, or gas. Do not ingest or inhale.

Hazards Identification

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.

Ingestion

Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.

Inhalation

Dust is irritating to the respiratory tract.

Skin

May cause skin irritation.

Eyes

May cause eye irritation.

EC Risk Phrase

R 22 36/37/38

EC Safety Phrase

S 22 26 36/37/39

Exposure Controls/Personal Protection

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 gloves to prevent skin exposure. Clothing: Wear appropriate clothing to prevent skin exposure.

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 prevent skin exposure.

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.

Poison Class

4

Fire Fighting Measures

Flash Point

140

Fire Fighting

Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Containers may explode when heated. Extinguishing media: Do NOT get water inside containers. In case of fire use water spray, dry chemical, carbon dioxide, or appropriate foam.

Fire Fighting

Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. To extinguish fire use water spray, dry chemical, carbon dioxide, or chemical foam.

Accidental Release Measures

Small spills/leaks

Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, using the appropriate protective equipment. Provide ventilation. Do not get water inside containers.

Small spills/leaks

Vacuum or sweep up material and place into a suitable disposal container. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, using the appropriate protective equipment.

Stability and Reactivity

Incompatibilities

Moisture, strong acids, strong bases, strong oxidizing agents.

Stability

Stable at room temperature in closed containers under normal storage and handling conditions.

Stability

Stable under normal temperatures and pressures.

Incompatibilities

Strong oxidizing agents.

Decomposition

Carbon monoxide, carbon dioxide.

Decomposition

Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.