Product Identification

Product Name

4-(4-Hydroxy-3-methoxyphenyl)butan-2-one

Synonyms

(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone
4-(3-Methoxy-4-hydroxyphenyl)-2-butanone
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone
4-Hydroxy-3-methoxybenzylacetone
Ethyl 2-picolinate
Ethyl pyridine-2-carboxylate
Gingerone
Vanillylacetone

CAS

2524-52-9

CAS

122-48-5

Formula

C11H14O3

Formula

C8H9NO2

Molecular Weight

151.16999999999999

Molecular Weight

194.23

EINECS

204-548-3

EINECS

219-758-0

RTECS

EL8900000

RTECS Class

Natural Product; Primary Irritant

Merck

12,10301

Beilstein/Gmelin

122485

Beilstein/Gmelin

2051099

Beilstein Reference

4-08-00-01866

Beilstein Reference

5-22-02-00004

Physical and Chemical Properties

Appearance

Clear slightly yellow liquid.

Appearance

Crystals from acetone, petroleum ether, ether plus petroleum ether strong, pungent odor reminiscent of ginger.

Solubility in water

Insoluble

Solubility in water

Slightly soluble

Melting Point

40

Melting Point

1 - 3

Boiling Point

126 (0.4 torr)

Boiling Point

240

Vapor Pressure

0.03 (25 C)

Density

1.122 g/cm3 (17.5 C)

Density

1.138-1.139 g/cm3 (25 C)

pKa/pKb

11.77 (pKb)

Partition Coefficient

1.04

Heat Of Vaporization

48.1

Usage

Flavor ingredient.

Vapor Density

5.21

Refractive Index

1.5104 (20 C)

First Aid Measures

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.

Ingestion

Seek medical assistance.

Inhalation

Move victim to fresh air. Apply artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult.

Inhalation

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

Inhalation

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

Skin

May cause skin irritation.

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.

Skin

Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush with running water for at least 20 minutes. Wash skin with soap and water.

Eyes

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

Eyes

Irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility.

Eyes

May cause eye irritation.

Handling and Storage

Storage

Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Storage

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Handling

Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation.

Handling

All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.

Hazards Identification

Ingestion

May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.

Inhalation

Ingestion of significant amounts may cause respiratory depression. Pulmonary aspiration may result in chemical pneumonitis.

Skin

Skin exposure to the liquid or vapor may result in dermatitis and paresthesias of affected areas. Contact urticaria has also been reported.

Eyes

See Skin.

Ingestion

Nausea and vomiting may occur.

EC Risk Phrase

R 36/38

EC Safety Phrase

S 26 36

UN (DOT)

1325

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

Personal Protection

Wear appropriate protective gloves, clothing and goggles.

Respirators

Wear positive pressure self-contained breathing apparatus (SCBA).

Respirators

A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use.

Exposure Effects

Limited studies have generally documented little or no effect of ketones on reproduction in experimental animals. Human data is lacking. 2,5-Hexanedione has an effect on spermatogenesis in male experimental animals.

Fire Fighting Measures

Flash Point

107

Fire Fighting

Small Fires: Dry chemical, carbon dioxide, sand, earth, water spray or regular foam. Large Fires: Water spray, fog or regular foam.

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: Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. In case of fire use water spray, dry chemical, carbon dioxide, or appropriate foam.

Fire Potential

Flammable/combustible material. May be ignited by friction, heat, sparks or flames.

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. Remove all sources of ignition. Provide ventilation.

Small spills/leaks

Make no contact with the spilled material. ELIMINATE all ignition sources and ground all equipment. With clean shovel place material into clean, dry container and cover loosely; move containers from spill area.

Stability and Reactivity

Disposal Code

5

Stability

No data.

Incompatibilities

Oxidizing agents.

Stability

Stable under normal temperatures and pressures.

Decomposition

Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.

Combustion Products

Fire may produce irritating and/or toxic gases.

Transport Information

UN Number

1325

Hazard Class

4.1

Packing Group

II; III

HS Code

2933 39 99