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pepper hexanone

Chemical Structure

General Material Information

Preferred name pepper hexanone
Trivial Name 5-Methyl-5-phenyl-3-hexanone
Short Description damascol 4 (IFF)
Formula C13 H18 O
CAS Number 4927-36-0
ECHA Number 225-561-0
FDA UNII Search
Nikkaji Number J203.194I
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • damascol (IFF)
  • damascol 4 (IFF)
  • damascol-4 (IFF)
  • 3-hexanone, 5-methyl-5-phenyl-
  • 5-methyl-5-phenyl-3-hexanone
  • 5-methyl-5-phenylhexan-3-one
  • 5-phenyl-5-methyl hexan-3-one
  • 5-phenyl-5-methyl-3-hexanone
  • 5-phenyl-5-methylhexan-3-one
  • 5-methyl-5-phenylhexan-3-one
  • 3-Hexanone, 5-methyl-5-phenyl-
  • 5-Methyl-5-phenyl-3-hexanone
  • 2-Methyl-2-phenyl-4-hexanone

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:2914.39.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 190.28565979004
Specific gravity @ 25 °C
Pounds per Gallon 7.972 to 8.038
Specific gravity @ 20 °C
Pounds per Gallon 7.989 to 8.056
Refractive Index 1.503 to 1.508 @ 20 °C
Boiling Point 259 to 262°C @ 760 mm Hg
Vapor Pressure 0.009 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.215
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 70.73 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Spicy
peppery, woody, rose, floral
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 24 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. deep peppery woody rose absolute

Potential Uses

Applications
Odor purposes Floral, Pepper, Rose, Spice, Woody
Other purposes Natural
Cosmetic purposes Perfuming agents

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 pepper hexanone usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for pepper hexanone 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):4927-36-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78639
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
5-methyl-5-phenylhexan-3-one
Chemidplus:0004927360