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indocolore (Firmenich)

Indocolore (Firmenich), or α-Acetoxystyrene, is a fragrance compound characterized by animal and floral odor notes used in perfumery.
Chemical Structure

General Material Description

Indocolore (Firmenich), chemically identified as α-Acetoxystyrene, is an aromatic organic compound with molecular formula C10H10O2. It appears as a clear substance used primarily in fragrance applications. The compound possesses a distinct animalic and floral odor profile with phenolic and fecal undertones, contributing to powerful floral notes in perfumery. Synonyms include 1-phenylvinyl acetate, alpha methylene benzyl acetate, and a-methylenebenzyl acetate. This compound is classified under fragrance agents and is referenced in controlled-vocabulary chemical databases such as PubChem (CID 75153). It is synthesized as an acetate derivative of phenylethenyl structures and is typically leveraged to add nuanced indolic floral effects without color interference in formulations.

Occurrence, Applicability & Potential Uses

Indocolore (Firmenich) does not naturally occur in biological systems but serves as an industrial aroma chemical in perfumery. Its application capitalizes on its distinctive animalic and floral odor attributes, which are intense even at low concentrations (recommended at or below 1.00%) and show remarkable substantivity lasting up to 168 hours in solvents like dipropylene glycol. The compound is utilized for its floral nuances with less naphtalenic character compared to related indolic compounds. Its use and regulation fall under fragrance standards such as IFRA (Global), which governs safe usage levels in consumer products. It is not approved for flavoring purposes. Validated stability from trace amounts to 0.5% in products ranging from detergents to fine fragrances supports its versatility in formulation.

Physico-Chemical Properties Summary

Indocolore (Firmenich) exhibits physicochemical properties crucial for its function in formulations. Its molecular weight is approximately 162.19 g/mol, and it has a moderate estimated log P value of 2.13, indicating balanced lipophilicity favoring solubility in both alcohol and water (estimated 498.1 mg/L at 25 °C). The compound’s vapor pressure is low (0.025 mmHg at 25 °C), signifying limited volatility which contributes to its lasting scent profile. Its flash point is 83 °C (183 °F) by tag closed cup method, denoting moderate flammability typical of aromatic acetate esters. Stability assessments confirm that Indocolore remains consistent under various application conditions, including shampoos and softeners, at trace to low concentration levels. These characteristics render it suitable for durable fragrance effects in diverse personal care products.

FAQ

What is Indocolore (Firmenich) and what are its main characteristics?
Indocolore (Firmenich), chemically known as α-Acetoxystyrene, is a fragrance compound primarily used in perfumery. It exhibits strong animalic and floral odor notes with phenolic and fecal aspects. The compound is clear and characterized by its ability to impart a powerful yet non-coloring floral scent, distinguishing it from similar indolic compounds by having less naphtalenic qualities.
How is Indocolore (Firmenich) used, and where is it typically found?
Indocolore is applied principally as a fragrance agent in various formulations including fine fragrances, detergents, shampoos, soaps, and softeners. Its strong odor intensity allows its use at concentrations around or below 1.00%. Its chemical stability in numerous products at low concentrations supports its role in long-lasting and nuanced scent blends. It is not used as a flavoring ingredient.
What regulatory standards apply to Indocolore (Firmenich) and how is it sourced?
Indocolore (Firmenich) is regulated under the IFRA (International Fragrance Association) Code of Practice, which sets usage limits for fragrance materials globally. It is assigned CAS number 2206-94-2 and is listed in the REACH pre-registration under the number 218-620-7 within the European Union. The compound is commercially synthesized for fragrance applications and is referenced in chemical safety resources such as RIFM and ECHA databases.

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Other Information

General Material Information

Preferred name indocolore (Firmenich)
Trivial Name α-Acetoxystyrene
Short Description 1-phenylvinyl acetate
Formula C10 H10 O2
CAS Number 2206-94-2
ECHA Number 218-620-7
FDA UNII 1CC5K86844
Nikkaji Number J299.159D
xLogP3-AA 2.20 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • a- acetoxystyrene
  • alpha- acetoxystyrene
  • benzenemethanol, a-methylene-, acetate
  • benzyl alcohol, a-methylene-, acetate
  • ethenol, 1-phenyl-, acetate
  • alpha- methylene benzyl acetate
  • a- methylenebenzyl acetate
  • 1-phenyl ethenyl acetate
  • 1-phenyl vinyl acetate
  • 1-phenylethenyl acetate
  • 1-phenylvinyl acetate
  • 1-phenylethenyl acetate
  • Benzenemethanol, α-methylene-, 1-acetate
  • Benzyl alcohol, α-methylene-, acetate
  • Benzenemethanol, α-methylene-, acetate
  • 1-Phenylvinyl acetate
  • α-Acetoxystyrene
  • α-Acetyloxystyrene
  • 1-Acetoxy-1-phenylethene
  • NSC 19194

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 162.18809509277
Vapor Pressure 0.025 mmHg @ 25 °C
Flash Point TCC Value 84 °C TCC
logP (o/w) 2.13
Solubility
alcohol Yes
water, 498.1 mg/L @ 25 °C (est) Yes
Stability
APC: traces - 0.5% Unspecified
candle: traces - 0.5% Unspecified
detergent: traces - 0.5% Unspecified
fine fragrances: traces - 0.5% Unspecified
shampoo: traces - 0.5% Unspecified
shower gel: traces - 0.5% Unspecified
soap: traces - 0.5% Unspecified
softener: traces - 0.5% Unspecified

Organoleptic Properties

Odor Type: Animal
animal, floral, fecal, phenolic
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 168 hour(s) at 10.00 % in dipropylene glycol
General comment At 1.00 % in dipropylene glycol. animal floral fecal phenolic
This non-coloring Indol note is a technical solution to create clear and powerful florals. INDOCOLORE is more floral than Indol, but less naphtalenic than Indol

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for indocolore (Firmenich) flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2206-94-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :75153
National Institute of Allergy and Infectious Diseases:Data
1-phenylethenyl acetate
Chemidplus:0002206942