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phenethyl isopropyl ether

Chemical Structure

General Material Information

Preferred name phenethyl isopropyl ether
Trivial Name (2-Isopropoxyethyl)benzene
Short Description petiole (Givaudan)
Formula C11 H16 O
CAS Number 68039-47-4
ECHA Number 268-262-0
FDA UNII Search
Nikkaji Number J288.967F
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • benzene, (2-(1-methylethoxy)ethyl)-
  • benzene, [2-(1-methylethoxy)ethyl]-
  • 1-(2-((1-methyl ethyl)oxy)ethyl) benzene
  • 1-(2-((1-methylethyl)oxy)ethyl)benzene
  • petiole (Givaudan)
  • phenethylisopropyl ether
  • phenyl ethyl isopropyl ether
  • 1-phenyl-4-methyl-3-oxapentane
  • 2-phenylethyl isopropyl ether
  • phenylethylisopropyl ether
  • 2-propan-2-yl oxyethyl benzene
  • 2-propan-2-yloxyethylbenzene
  • iso propoxyethyl benzene
  • (2-iso propoxyethyl) benzene
  • (2-iso propoxyethyl)benzene
  • [2-iso propoxyethyl]benzene
  • iso propoxyethylbenzene
  • iso propyl 2-phenylethyl ether
  • 2-propan-2-yloxyethylbenzene
  • [2-(1-Methylethoxy)ethyl]benzene
  • Isopropyl phenethyl ether
  • 2-Phenylethyl isopropyl ether
  • (2-Isopropoxyethyl)benzene

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

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Literature & References

2-propan-2-yloxyethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68039-47-4
Pubchem (cid):106442
Pubchem (sid):135064572
Publications by US Patents
Alkenyl phenethylethers and uses thereof in combatting tobacco beetles

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.24772644043
Boiling Point 208 to 209°C @ 760 mm Hg
Vapor Pressure 0.294 mmHg @ 25 °C
Flash Point TCC Value 78.89 °C TCC
logP (o/w) 2.99 est
Solubility
alcohol Yes
water, 127.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, rose, plastic, metallic, spicy, foliage, watercress
Odor strength medium
Substantivity 92 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. green rose plastic metallic spicy foliage watercress
Flavor Type: Green
green, watercress, plastic, metallic, spicy, tomato leaf, clover
Luebke, William tgsc, (1985) Green watercress plastic metallic spicy tomato leaf clover

Potential Uses

Applications
Odor purposes Chrysanthemum, Foliage, Green, Herbal, Hyacinth, Rose
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable 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 phenethyl isopropyl ether usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for phenethyl isopropyl 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):68039-47-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106442
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-propan-2-yloxyethylbenzene
Chemidplus:0068039474