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acetal 318

Acetal 318 is a fragrance compound known for its medium-strength floral odor and applications in capturing aldehydic and tropical scents.
Chemical Structure

General Material Description

Acetal 318, chemically named 3-(1-ethoxyethoxy)-3,7-dimethyl-1-octene, is a synthetic fragrance compound featuring the molecular formula C14H28O2. It presents as a medium-strength floral odor with nuances described as sweet cardamom, fruity, and tropical. This compound is recognized under several synonyms including acetaldehyde ethyl 6-dihydrolinalyl acetal. It is associated with the PubChem database entry 163400, providing authoritative chemical and safety information. Typically sourced via chemical synthesis, Acetal 318 is widely employed in fragrance formulations to impart complex floral and aldehydic notes.

Occurrence, Applicability & Potential Uses

While Acetal 318 does not occur naturally, its synthetic production enables its use as a fragrance agent in perfumery and related applications. This compound contributes aldehydic, floral, and tropical fruit character to scent blends. Its odor profile supports uses mimicking various natural aromas such as apple, blackberry, jasmine, and tropical fruits, enhancing a broad range of fragrance concepts including chypre, oriental, and bouquet themes. According to the IFRA (Global) Code of Practice, its use in fragrance concentrates is recommended up to 2.0% concentration. Despite its numerous odor facets, Acetal 318 is not designated for flavoring purposes.

Physico-Chemical Properties Summary

Acetal 318 exhibits a molecular weight of approximately 228.38 g/mol and a molecular formula of C14H28O2. It has a boiling point range near 260 to 262°C at standard atmospheric pressure. Its vapor pressure at 25°C is low, measured at about 0.075 mmHg, indicating low volatility under ambient conditions. The compound is soluble in alcohol and shows limited water solubility, with an estimated value around 2.41 mg/L at 25°C. With a logP value near 4.65, Acetal 318 is moderately lipophilic, favoring partitioning into organic phases typical of fragrance formulations. The flash point is about 52.8°C (127°F), denoting its flammable nature, requiring attention during handling and formulation. Stability assessments suggest moderate resilience but recommend caution against alkaline conditions that could affect acetal stability.

FAQ

What is Acetal 318 and what are its primary characteristics?
Acetal 318, also known by the chemical name 3-(1-ethoxyethoxy)-3,7-dimethyl-1-octene, is a synthetic fragrance ingredient with a molecular formula of C14H28O2. It is characterized by a medium-strength floral odor described as sweet cardamom, fruity, and tropical. This compound is used predominantly in perfumery for its aldehydic and floral scent facets.
How is Acetal 318 used in fragrance formulations and where does it apply?
Acetal 318 is utilized primarily as a fragrance agent to impart aldehydic, floral, and tropical notes in various scent compositions. It enhances a wide variety of aromatic themes, including fruity, floral, chypre, and oriental fragrances. The International Fragrance Association (IFRA) specifies a maximum usage level of 2.0% in fragrance concentrates to ensure product safety. It is not commonly used as a flavoring agent due to its intended olfactory properties.
What safety and regulatory standards apply to Acetal 318?
Within the IFRA (Global) Code of Practice, Acetal 318 is recommended to be used up to 2.0% concentration in fragrance formulations. It is classified as an irritant and is flammable, requiring appropriate handling precautions. Safety data indicate it can cause irritation to eyes, skin, and the respiratory system. Regulatory references include its CAS number 84029-93-6 and ECHA pre-registration number 281-764-4. It is not approved for flavor use and has not been assigned specific oral, dermal, or inhalation toxicity limits in certain regulatory databases.

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Other Information

General Material Information

Preferred name acetal 318
Trivial Name 3-(1-Ethoxyethoxy)-3,7-dimethyl-1-octene
Short Description 1-octene, 3-(1-ethoxyethoxy)-3,7-dimethyl-
Formula C14 H28 O2
CAS Number 84029-93-6
ECHA Number 281-764-4
FDA UNII Search
Nikkaji Number J332.996H
xLogP3-AA 4.30 (est)
NMR Predictor External link
Synonyms
  • 3-(1-ethoxyethoxy)-3,7-dimethyl oct-1-ene
  • 3-(1-ethoxyethoxy)-3,7-dimethyl-1-octane
  • 3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene
  • 1-octene, 3-(1-ethoxyethoxy)-3,7-dimethyl-
  • 3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene
  • 1-Octene, 3-(1-ethoxyethoxy)-3,7-dimethyl-
  • 3-(1-Ethoxyethoxy)-3,7-dimethyl-1-octene
  • Acetaldehyde ethyl 6-dihydrolinalyl acetal

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 228.3755645752
Boiling Point 260 to 262°C @ 760 mm Hg
Vapor Pressure 0.0747 mmHg @ 25 °C
Flash Point TCC Value 52.78 °C TCC
logP (o/w) 4.65
Solubility
alcohol Yes
water, 2.41 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Floral
sweet, cardamom, floral, fruity, tropical, fresh
Odor strength medium
Substantivity 24 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 100.00 %. sweet cardamom floral fruity tropical fresh

Potential Uses

Applications
Odor purposes Aldehydic , Algae , Apple red apple , Ash mountain ash , Autumn , Azalea , Bark , Bay rum , Blackberry , Boronia , Bouquet , Boysenberry , Bramble arctic bramble blackberry , Butterscotch , Cedar forest , Cherry black cherry , Chrysanthemum , Chypre , Clove blossom , Colonia , Country meadow , Crabapple blossom , Cranberry , Cucumber , Daffodil , Davana oil replacer , Dillenia , Eglantine , Elder berry , Elder flower , Fetes , Fig , Floral , Foliage , Frangipani plumeria , Freesia , Galbanum , Genet , Gingergrass , Gooseberry , Guava , Herbal , Hibiscus , Honeysuckle , Huckleberry , Iris blossom , Ivy , Jasmin , Kewda , Kiwi , Kiwi blossom , Kumquat , Licorice , Lily , Lily of the valley , Linden flower , Loganberry , Lotus , Lychee , Magnolia , Mango flower , Marigold , Melon , Millefleurs , Moss , Mulberry , Opoponax , Orange , Orchid , Oriental , Pansy , Papaya , Passion blossom , Passion fruit , Peach blossom , Pear , Petunia , Pineapple , Plum blossom , Pomegranate , Quince , Redwood , Reseda , Rhubarb , Rose tea rose , Saffron , Saffron , Savin , Scented stock , Sherry , Spearmint , Sweet pea , Tangerine , Tansy oil replacer , Tomato leaf , Wormwood oil replacer
Flavoring purposes Arrack , Butter rum , Cloudberry bakeapple , Fruit tropical fruit , Jackfruit , Marigold , Molasses , Pear prickly pear , Brandy plum brandy , Praline , Savin , Starfruit , Tansy oil replacer , Tea , Tea black tea , Tropical
Other purposes Blossom tropical blossom , Dewy , Fantasy blends , Fir , Rose wild rose

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 acetal 318 usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for acetal 318 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):84029-93-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :163400
National Institute of Allergy and Infectious Diseases:Data
3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene
Chemidplus:0084029936