Product Identification

Product Name

Alliin

Synonyms

(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
3-(Allylsulfinyl)-L-alanine, (S)-
L-Alanine, 3-[(S)-2-propenylsulfinyl]-
S-Allyl-L-cysteine-(+)-sulfoxide

CAS

556-27-4

Formula

C6H11NO3S

Molecular Weight

177.22

EINECS

209-118-9

Merck

13,259

Beilstein/Gmelin

1724805

Physical and Chemical Properties

Appearance

White powder.

Solubility in water

25 g/L (25 C)

Melting Point

165

Boiling Point

416

Vapor Pressure

4.3E-8 (25 C)

Density

1.35 g/cm3 (20 C)

pKa/pKb

1.88 (pKa)

Partition Coefficient

-.48

Heat Of Vaporization

73.43 kJ/mol

Usage

Component of garlic.

First Aid Measures

Ingestion

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

Inhalation

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

Skin

In case of contact, immediately wash skin with soap and copious amounts of water. Remove contaminated clothing and shoes. Call a physician.

Eyes

In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician.

Handling and Storage

Storage

Store at -20 C in a tightly closed container.

Hazards Identification

Ingestion

May be harmful if swallowed.

Inhalation

Material is irritating to mucous membranes and upper respiratory tract. May be harmful if inhaled.

Skin

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

Eyes

Causes irritation.

Hazards

Emits toxic fumes under fire conditions.

EC Risk Phrase

36/37/38

EC Safety Phrase

26

Exposure Controls/Personal Protection

Personal Protection

Compatible chemical-resistant gloves. Chemical safety goggles. Protective clothing.

Respirators

Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or type P1 (EN 143) respirator.

Fire Fighting Measures

Flash Point

205

Fire Fighting

Extinguish with 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.

Accidental Release Measures

Small spills/leaks

Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete.

Stability and Reactivity

Stability

Stable at normal temperatures and pressures.

Incompatibilities

Strong oxidizing agents.

Decomposition

Carbon monoxide, Carbon dioxide, Nitrogen oxides, Sulfur oxides.