Safraleine

CAS Number: 54440-17-4

Molecular Formula: C12H14O

Purity: 99.99%

Muguet-Type Fresh Floral AlcoholSafrole AlcoholSafraleine AlcoholSafraleneolIFRA, REACH CompliantISO 9001 Plant SafraleineSupplier Driven End Uses

About Safraleine

Safraleine (2,6,6-Trimethylcyclohex-2-ene-1-methanol), also called (2,3,3-Trimethylindanone), is a diffusive floral-fresh fragrance ingredient, offering a muguet (lily-of-the-valley)-type note. Safrole Alcohol blends bright, transparent floral freshness with subtle green aspects, contributing to the heart of modern fl...

Safraleine Specifications

CAS Number

54440-17-4

Molecular Formula

C12H14O

IUPAC Name

2,3,3-trimethyl-2H-inden-1-one

Canonical SMILES

CC1C(=O)C2=CC=CC=C2C1(C)C

InChI Key

KZSUMHASCAWKLE-UHFFFAOYSA-N

InChI

1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3

EINECS Number

259-622-3

FEMA Number

4556

MDL Number

MFCD00067970

UNSPSC Code

12142000

CAS Number

54440-17-4

Molecular Formula

C12H14O

IUPAC Name

2,3,3-trimethyl-2H-inden-1-one

Canonical SMILES

CC1C(=O)C2=CC=CC=C2C1(C)C

InChI Key

KZSUMHASCAWKLE-UHFFFAOYSA-N

InChI

1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3

EINECS Number

259-622-3

FEMA Number

4556

MDL Number

MFCD00067970

UNSPSC Code

12142000

Appearance

Sensory evaluation

Spicy, Leathery, Woody, Warm

Purity ISO 7609 polar

99.99%

Flashpoint

120 °C (248 °F)

Color

Pale yellow

Refractive Index (20°C)

1.484–1.490

Solubility

Soluble in alcohols, oils; insoluble in water

Stability

Good oxidative & formulation stability

Specific gravity

1.02 @25C

GHS Classification

Skin Irritant: Category 2 Eye Irritant: Category 2A

Hazard Statements

H315: Causes skin irritation H319: Causes serious eye irritation

Precautionary Statements

P280: Wear protective gloves/protective clothing/eye protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes

Fragrance Applications

*Fine fragrances (modern florals, aldehydic florals, green florals) *Personal care (soaps, shampoos, deodorants) *Home care (detergents, fabric softeners, air fresheners)

Fragrance Profile & Role

*Enhances muguet floralcy *Adds freshness and transparency in heart notes *Extends the life of floral accords

End Use

*Used by fine fragrance brands, personal care formulators, and fabric care specialists *Key in modern floral perfumes, lily-of-the-valley compositions, and floral-green blends *Preferred in formulations where floral freshness and diffusion are critical

Supplier Termed Features

*High diffusion and radiance *Excellent substantivity on skin and fabrics *Low volatility for long-lasting effect *Stable across a wide pH range and in detergent bases