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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
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    Occurrences
  4. 4.
    Organoleptic Properties
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herbal ketone

Chemical Structure

General Material Information

Preferred name herbal ketone
Trivial Name 3-(Hydroxymethyl)-2-nonanone
Short Description methyl lavender ketone (IFF)
Formula C10 H20 O2
CAS Number 67801-33-6
ECHA Number 267-154-0
FDA UNII 4QZ8NDH82S
Nikkaji Number J35.913K
xLogP3-AA 2.30 (est)
NMR Predictor External link
Synonyms
  • 3-( hydroxmethyl)-2-nonanone
  • hydroxymethyl heptyl methyl ketone
  • 3-( hydroxymethyl) nonan-2-one
  • 3-( hydroxymethyl)-2-nonanone
  • 3-( hydroxymethyl)nonan-2-one
  • methyl lavender ketone (IFF)
  • methylyl lavender ketone
  • 2-nonanone, 3-(hydroxymethyl)-
  • 3-(hydroxymethyl)nonan-2-one
  • 2-Nonanone, 3-(hydroxymethyl)-
  • 3-(Hydroxymethyl)-2-nonanone
  • Methyl lavender ketone
  • 2-Acetyl-1-octanol

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

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon 7.406 to 7.572
Specific gravity @ 20 °C
Pounds per Gallon 7.423 to 7.589
Refractive Index 1.439 to 1.444 @ 20 °C
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 93.89 °C TCC
logP (o/w) 1.74
Shelf life 24 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, 7357 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: Herbal
fresh, sweet, green, weedy, earthy, herbal
Odor strength medium
Substantivity 20 hour(s) at 100.00 %
Luebke, William tgsc, (1992) At 100.00 %. fresh sweet green weedy earthy herbal
Flavor Type: Cheesy
cheesy, green, fruity, dairy, dirty, buttery
Luebke, William tgsc, (1992) Cheese green fruity dairy dirty buttery
General comment Cheese green fruity dairy dirty buttery

Potential Uses

Applications
Odor purposes Fern, Floral, Fungus, Green, Herbal, Lavender, Woody
Other purposes Leaf
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 herbal ketone usage levels up to:
3.0000 % in the fragrance concentrate.
Recommendation for herbal ketone 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):67801-33-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106823
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-(hydroxymethyl)nonan-2-one
Chemidplus:0067801336