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butyl phenyl ether

Butyl phenyl ether is an aromatic ether known for its licorice-like odor, primarily used for informational purposes rather than industrial applications.
Chemical Structure

General Material Description

Butyl phenyl ether is a chemical compound classified as an aromatic ether, with the molecular formula C10H14O. It appears as a colorless liquid with a distinct licorice and anise-like odor when diluted, characteristic of its sensory profile. Known under several synonyms including 'butoxybenzene' and '1-phenoxybutane', it belongs to a group of compounds containing an oxygen atom linking a butyl group to a phenyl ring. The compound is indexed in chemical databases such as PubChem. It is generally prepared through organic synthesis methods involving alkylation of phenol derivatives. Despite its aromatic nature, it is not commonly used in commercial fragrances or food flavorings, being mostly relevant for academic or chemical information reference purposes.

Occurrence, Applicability & Potential Uses

Butyl phenyl ether is not naturally abundant and primarily originates from synthetic chemical processes. It is seldom found in biological sources or natural extracts. Industrially, it is noted mainly as a reference compound or for research rather than as a component in fragrance or flavor formulations. Regulatory sources like FEMA (US) identify it as an information-only compound with no recommended use in flavors or perfumes. Its niche applicability limits its presence in commercial consumer products. Research into its behavior in chemical systems contributes to understanding aromatic ethers' properties rather than direct product applications.

Physico-Chemical Properties Summary

Physically, butyl phenyl ether is a colorless liquid with a boiling point ranging between 206 to 207 °C at atmospheric pressure. It has a specific gravity near 0.934 to 0.938 at 20 °C and a refractive index between 1.496 and 1.498 at the same temperature, indicating moderate density and optical activity. The compound’s vapor pressure at 25 °C is low (0.334 mmHg), reflecting limited volatility under ambient conditions. Its estimated partition coefficient (logP) is approximately 3.7, suggesting lipophilicity and relative insolubility in water, while it remains soluble in alcohols. The flash point is about 82 °C (converted from 180 °F), signifying a moderate fire hazard when handled at elevated temperatures. These properties affect its behavior in formulations and chemical reactions, especially regarding solvent selection and temperature control.

FAQ

What is butyl phenyl ether and what are its key characteristics?
Butyl phenyl ether is an aromatic ether compound with the chemical formula C10H14O. It is known primarily for its licorice and anise-like odor at certain concentrations. The compound appears as a colorless liquid and is referred to by various synonyms such as butoxybenzene and 1-phenoxybutane. It is mainly synthesized chemically and is not commonly found in natural sources. Its primary relevance is in chemical research and information, rather than commercial fragrance or flavor applications.
How is butyl phenyl ether used and where can it be found?
Butyl phenyl ether is rarely used as an ingredient in consumer products due to its limited commercial applications. It is mainly encountered in chemical laboratories as a reference or investigational substance. The compound does not naturally occur in significant amounts and is not utilized in flavorings or perfumery. Its documented applications are restricted to information purposes according to regulatory bodies such as FEMA (US). It may be stored and handled in specialized chemical inventories rather than general industrial settings.
What regulations and safety considerations apply to butyl phenyl ether?
Butyl phenyl ether is classified with no significant hazards under OSHA (US) standards and lacks specific GHS hazard classifications. Safety data indicate a moderate oral toxicity with an LD50 of 3200 mg/kg in mice, but dermal and inhalation toxicities are not well defined. The compound is not recommended for use in fragrances or flavorings. Regulatory databases such as REACH (EU) list it with identifiers confirming its chemical identity, but do not mandate broad restrictions. Standard safety measures including proper ventilation and temperature control during handling apply, guided by physicochemical properties like flash point and vapor pressure.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2909.30.6000
ChemSpider:View

General Material Information

Preferred name butyl phenyl ether
Trivial Name Butyl phenyl ether
Short Description 4-propylmethoxybenzene
Formula C10 H14 O
CAS Number 1126-79-0
ECHA Number 214-426-1
FDA UNII H804A5426K
Nikkaji Number J43.445K
Beilstein Number 1635559
MDL MFCD00009438
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • benzene, butoxy-
  • butoxybenzene
  • butoxyphenyl
  • N- butyl phenyl ether
  • ( butyloxy)benzene
  • ether, butyl phenyl
  • phenyl butyl ether
  • 4-propylmethoxybenzene
  • Butyloxybenzene
  • n-Butyl phenyl ether
  • Phenyl n-butyl ether
  • 1-Phenoxybutane
  • NSC 8467

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 150.22077941895
Specific gravity @ 20 °C
Pounds per Gallon 7.781 to 7.814
Refractive Index 1.496 to 1.498 @ 20 °C
Boiling Point 206 to 207°C @ 760 mm Hg
Vapor Pressure 0.334 mmHg @ 25 °C
Flash Point TCC Value 74.5 °C TCC
logP (o/w) 3.699 est
Solubility
alcohol Yes
water, 70.76 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Licorice
anise, licorice
General comment At 10.00 % in dipropylene glycol. anise licorice

Safety Information

Safety information

Preferred SDS: View
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:
oral-mouse LD50 3200 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for butyl phenyl ether usage levels up to:
not for fragrance use.
Recommendation for butyl phenyl ether 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):1126-79-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14311
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butoxybenzene
Chemidplus:0001126790
RTECS:KN5300000 for cas# 1126-79-0