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4-propyl 1-(3-methoxy-2-propen-1-yl) benzene

4-propyl 1-(3-methoxy-2-propen-1-yl) benzene is a fragrance compound characterized by muguet, green, and fatty odor notes and used primarily in fragrance formulations.

General Material Description

4-propyl 1-(3-methoxy-2-propen-1-yl) benzene is an organic aromatic compound belonging to the allylbenzene class. It appears as a liquid with a molecular formula of C13H18O and a molecular weight of approximately 190.29 g/mol. The compound exhibits a characteristic muguet-like odor accompanied by green and fatty notes, which makes it useful as a fragrance agent. It is known by synonyms such as 1-(3-methoxyprop-2-enyl)-4-propylbenzene and 4-propyl 1-(3-methoxy-2-propenyl)benzene. Chemical information on this compound is consolidated in public databases including PubChem. It is typically synthesized through chemical routes involving methoxylation and allylation of substituted benzenes.

Occurrence, Applicability & Potential Uses

This compound is primarily used as a fragrance agent due to its distinctive muguet and green scent profile. It may occur as a synthetic additive in perfumery or flavor formulations within regulated limits. According to the IFRA (Global) Code of Practice, it is not recommended for flavor use and is suggested for fragrance applications under controlled conditions. Its natural biological occurrence has not been documented prominently, indicating that industrial production rather than natural extraction is the main source. The compound's application in olfactory products requires consideration of relevant regulatory standards such as IFRA's guidelines to ensure safe consumer use.

Physico-Chemical Properties Summary

4-propyl 1-(3-methoxy-2-propen-1-yl) benzene is moderately hydrophobic with an estimated XLogP3 value of about 4.00, signifying appreciable lipophilicity which influences its solubility and volatilization behavior. It has limited water solubility estimated at 16.33 mg/L at 25 °C, indicating poor aqueous solubility but likely good solubility in organic solvents and oils. These physical characteristics affect its formulation in fragrance products, facilitating its incorporation into non-polar bases and oil carriers. The chemical structure includes a methoxy-substituted propenyl side chain attached to a propylbenzene core, which contributes to its odor profile and stability. No classified hazards under OSHA HCS criteria have been identified, supporting its suitability under recommended use scenarios.

FAQ

What is 4-propyl 1-(3-methoxy-2-propen-1-yl) benzene and what are its main characteristics?
4-propyl 1-(3-methoxy-2-propen-1-yl) benzene is an aromatic compound used primarily as a fragrance agent. It has a molecular formula of C13H18O and exhibits a muguet odor with green and fatty notes. The compound is liquid at room temperature and shows limited water solubility. It belongs to the class of allylbenzene derivatives and is identified by common synonyms such as 1-(3-methoxyprop-2-enyl)-4-propylbenzene.
How is 4-propyl 1-(3-methoxy-2-propen-1-yl) benzene used and where does it typically occur?
This compound is used almost exclusively as a fragrance ingredient due to its distinct scent qualities. It is synthesized chemically for use in formulations rather than being widely found in nature. Regulatory guidelines from IFRA (Global) restrict its application to fragrance use and advise against its use as a flavor additive. The substance is incorporated into perfumes, scented products, and potentially other aromatic formulations where muguet-like odors are desired.
What safety and regulatory information applies to 4-propyl 1-(3-methoxy-2-propen-1-yl) benzene?
No specific hazard classifications have been assigned to this compound under OSHA's Hazard Communication Standard (29 CFR 1910), and no hazard or precautionary statements are listed. The IFRA Code of Practice (Global) provides usage guidelines, indicating it is suitable for fragrance applications while excluding flavoring uses. Safety assessments indicate that toxicity data such as oral, dermal, or inhalation effects have not been fully determined, underscoring the importance of adherence to regulatory limits and recommended exposure concentrations.

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Literature & References

1-(3-methoxyprop-2-enyl)-4-propylbenzene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):67159296
Pubchem (cas):NF0610
Publications by US Patents
8,168,834 - 4-alkyl 1-(3-methoxy-2-propen-1-yl) benzene compounds and their use in perfume compositions

General Material Information

Preferred name 4-propyl 1-(3-methoxy-2-propen-1-yl) benzene
Trivial Name 1-(3-methoxyprop-2-enyl)-4-propylbenzene
Formula C13 H18 O
xLogP3-AA 4.00 (est)
NMR Predictor External link
Synonyms
  • 1-(3-methoxyprop-2-enyl)-4-propylbenzene
  • 4-propyl 1-(3-methoxy-2-propen-1-yl)benzene
  • 4-propyl 1-(3-methoxy-2-propenyl)benzene

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 190.28565979004
Solubility
water, 16.33 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Muguet
muguet, green, fatty
General comment At 100.00 %. muguet, green, and fatty notes

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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4-propyl 1-(3-methoxy-2-propen-1-yl) benzene flavor usage levels up to:
not for flavor use.

Safety references

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Laboratory Chemical Safety Summary :67159296
1-(3-methoxyprop-2-enyl)-4-propylbenzene