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labdanum ethanone

Chemical Structure

General Material Information

Preferred name labdanum ethanone
Trivial Name 4′-tert-Butyl-2′,6′-dimethylacetophenone
Short Description orinox (PFW)
Formula C14 H20 O
CAS Number 2040-10-0
ECHA Number 218-037-8
FDA UNII UN0DL0NR1U
Nikkaji Number J60.318J
MDL MFCD00026301
xLogP3-AA 4.00 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • acetophenone, 4'-tert-butyl-2',6'-dimethyl-
  • acetophenone, 4'-tert-butyl-2',6'-dimethyl- (8CI)
  • 1-acetyl-4-(tert-butyl)-2,6-dimethylbenzene
  • tert- butyl dimethyl acetophenone
  • 1-(4-tert- butyl-2,6-dimethylphenyl)ethanone
  • 4'-tert- butyl-2',6'-dimethyl acetophenone
  • 4'-tert- butyl-2',6'-dimethylacetophenone
  • 1-(4-(1,1-dimethyl ethyl)-2,6-dimethyl phenyl) ethanone
  • 1-(4-(1,1-dimethylethyl)-2,6-dimethylphenyl) ethanone
  • ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethylphenyl)-
  • ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
  • orinox (PFW)
  • 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
  • Acetophenone, 4′-tert-butyl-2′,6′-dimethyl-
  • 1-[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]ethanone
  • 1,3-Dimethyl-5-tert-butyl-2-acetophenone
  • 4′-tert-Butyl-2′,6′-dimethylacetophenone
  • F 17LOP
  • NSC 15340
  • 1-(4-tert-Butyl-2,6-dimethylphenyl)ethan-1-one

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 204.31260681152
Melting Point 46 to 47°C @ 760 mm Hg
Boiling Point 280 to 281°C @ 760 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.913 est
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, 4.209 mg/L @ 25 °C (est) Yes
water No
Stability
cream Unspecified
detergent Unspecified
fabric softener Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Woody
dry, woody, labdanum, rose, musk, orangeflower
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 504 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. strong dry woody labdanum rose musk orangeflower

Potential Uses

Applications
Odor purposes Amber, Animal, Balsam, Floral, Herbal, Labdanum, Musk, Orange blossom, Oriental, Woody
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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 36 - Wear suitable protective clothing.
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 labdanum ethanone usage levels up to:
1.0000 % in the fragrance concentrate.
Recommendation for labdanum ethanone 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):2040-10-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :74879
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
Chemidplus:0002040100