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3-(3-propen-2-yl phenyl) butanal

Chemical Structure

General Material Information

Preferred name 3-(3-propen-2-yl phenyl) butanal
Trivial Name β-Methyl-3-(1-methylethenyl)benzenepropanal
Short Description butanal, 3-(3-(1-methylethenyl)phenyl)-
Formula C13 H16 O
CAS Number 125109-84-4
FDA UNII Search
Nikkaji Number J1.563.104J
xLogP3-AA 3.30 (est)
NMR Predictor External link
Synonyms
  • butanal, 3-(3-(1-methylethenyl)phenyl)-
  • 3-(3-(1-methyl ethenyl)phenyl) butanal
  • beta- methyl-3-(1-methyl ethenyl) benzene propanal
  • 3-[3-( prop-1-en-2-yl)phenyl]butanal
  • 3-(3-propen-2-ylphenyl)butanal
  • 3-[3-(prop-1-en-2-yl)phenyl]butanal
  • Benzenepropanal, β-methyl-3-(1-methylethenyl)-
  • β-Methyl-3-(1-methylethenyl)benzenepropanal

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Literature & References

3-[3-(prop-1-en-2-yl)phenyl]butanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):86208
Pubchem (sid):135043919
Publications by US Patents
4,910,346 - 3-(3-propan-2-ylphenyl)butanal and 3-(3-propen-2-ylphenyl)butanal

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 188.26971435547
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 125.9 °C TCC
logP (o/w) 3.197 est
Solubility
water, 23.42 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fresh
ozone, cortex, green, floral, melon
General comment At 10.00 % in dipropylene glycol. ozone, stemmy-green floral, melon

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 3-(3-propen-2-yl phenyl) butanal 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):125109-84-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86208
National Institute of Allergy and Infectious Diseases:Data
3-[3-(prop-1-en-2-yl)phenyl]butanal
Chemidplus:0125109844