Alpha-irone

CAS Number: 79-69-6

Molecular Formula: C14H22O

Purity: 89.1

Floral Orris-Type KetoneIdeal for EDP/EDTGHS/CLP labeledIFRA/REACH Compliant

About Alpha-irone

α-Irone or Methyl alpha-iononeis a natural aromatic ketone known for its rich, elegant orris-like scent for fragrance needs. Found in trace amounts in iris root (orris butter), α-Irone or simply called as Irone is used as a key component in violet, floral, and woody fragrances. Due to its high cost in natural form, it...

Alpha-irone Specifications

CAS Number

79-69-6

Molecular Formula

C14H22O

IUPAC Name

(E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Canonical SMILES

CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C

InChI Key

JZQOJFLIJNRDHK-CMDGGOBGSA-N

InChI

1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+

EINECS Number

201-219-6

FEMA Number

2597

UNSPSC Code

12141809

eClass

39-14-06-03

CAS Number

79-69-6

Molecular Formula

C14H22O

IUPAC Name

(E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Canonical SMILES

CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C

InChI Key

JZQOJFLIJNRDHK-CMDGGOBGSA-N

InChI

1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+

EINECS Number

201-219-6

FEMA Number

2597

UNSPSC Code

12141809

eClass

39-14-06-03

Appearance

Liquid

Colour

Colourless To Yellow Complies

Odour

Floral, powdery, violet, orris root-like

Purity By GLC

89.1

Boiling Point

~280°C

Flash Point

>100°C

Solubility

Insoluble in water

GHS Classification

Eye Irritation: Category 2A Skin Sensitizer: Category 1

(H) Statements

H317: May cause an allergic skin reaction H319: Causes serious eye irritation

(P) Statements

P280: Wear protective gloves/eye protection P305+P351+P338: IF IN EYES: Rinse cautiously with water P333+P313: If skin irritation or rash occurs: Get medical advice

IFRA Status

Listed; dermal limits vary by product category

FEMA/GRAS

Not applicable for Food USE.

Fine Fragrance

Used in orris, violet, powdery, and chypre accords

Luxury Perfumes

Adds a natural orris nuance with excellent substantivity

Cosmetics & Personal Care

Low-dose usage in creams, lotions, and hair products

Home Fragrance

High-end scented candles and air care

Flavoring

Not used in flavors due to regulatory and olfactory limits

Additional Feauture

*Effective from ~0.01–0.1% in finished product *Natural Equivalent: Found in iris root oil but usually synthesized for commercial use *Stable in Alcoholic Bases: Ideal for EDP/EDT *Compatible with Florals and Woods: Blends with violet, rose, sandalwood, ambers