Coumarin

1-benzopyran-2-one

Sweet, herbaceous-warm, somewhat spicy odor, in extreme dilution more haylike, nut- Iike, tobacco-like. Extensively used in perfumery to support herbaccous odors, Lavender, Lavandin, Rosemary, Citrus oils, Oakmoss, etc, and as a fixative in numerous types of fragrances; Almost a standard ingredient in Fougère types with Amylsalicylate and Lavender-notes, with or without Oakmoss.

General Information

CategoryAromatic Compound
IUPAC Namechromen-2-one
CAS Number91-64-5
Molecular Weight146.14 g/mol
Canonical SMILESC1=CC=C2C(=C1)C=CC(=O)O2

Organoleptic Properties

Odor Family
Tobacco/Hay
Odor Strength
Medium
Odor DescriptionCoumarinic, Hay, Hay New Mown Hay, Sweet, Tonka
Usage Level1% in the fragrance concentrate
Substantivity3640 hours at 100%

Physical Properties

AppearanceWhite crystals (est)
Vapor Pressure0.1 mmHg @ 20 °C.
Vapor Density5.1 ( Air = 1 )
Boiling Point297 to 301 °C. @ 760 mm Hg
Flash Point> 200 °F. TCC ( > 93 °C. )
Congealing Point68 °C.
Melting Point68 to 74 °C. @ 760 mm Hg
XLogP1.4
Shelf Life24 months if stored properly
StorageStore in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble inAlcohol
Kerosene
Paraffin oil
Water, 1900 mg/L @ 20 °C (exp)
Insoluble inWater
Isopropyl myristate

IFRA

Standardhttps://ifrafragrance.org/standards/IFRA_STD_023.pdf
CategoryFragrance agents
Critical EffectDermal sensitization and systemic toxicity
Restrictions
Usage limits in the finished product
Cat. 1Category 1:0.089 %
Cat. 2Category 2:0.08 %
Cat. 3Category 3:0.089 %
Cat. 4Category 4:1.5 %
Cat. 5ACategory 5A:0.38 %
Cat. 5BCategory 5B:0.11 %
Cat. 5CCategory 5C:0.16 %
Cat. 5DCategory 5D:0.035 %
Cat. 6Category 6:0.0024 %
Cat. 7ACategory 7A:0.18 %
Cat. 7BCategory 7B:0.18 %
Cat. 8Category 8:0.035 %
Cat. 9Category 9:0.52 %
Cat. 10ACategory 10A:0.52 %
Cat. 10BCategory 10B:1.6 %
Cat. 11ACategory 11A:0.035 %
Cat. 11BCategory 11B:0.035 %
Cat. 12Category 12:33.00 %

Safety Information

Hazard StatementH301 - Toxic if swallowed
H402 - Harmful to aquatic life
H412 - Harmful to aquatic life with long-lasting effects
Precautionary StatementP264 - Wash … thoroughly after handling
P270 - Do not eat, drink or smoke when using this product
P273 - Avoid release to the environment
P301 + 310 - IF SWALLOWED: Immediately call a POISON CENTER/doctor/…
P321 - Specific treatment (see … on this label)
P330 - Rinse mouth
P405 - Store locked up
P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
R-phrasesR22 - Harmful if swallowed
R43 - May cause sensitisation by skin contact
S-phrasesS2 - Keep out of the reach of children
S20/21 - When using do not eat, drink or smoke
S24/25 - Avoid contact with skin and eyes
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39 - Wear suitable gloves and eye/face protection
Europe Standard HazardXn - Harmful

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