EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

labdanum ethanone
orinox (PFW)

Sponsors

Name:1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CAS Number: 2040-10-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-037-8
FDA UNII:UN0DL0NR1U
Nikkaji Web:J60.318J
MDL:MFCD00026301
XlogP3-AA:4.00 (est)
Molecular Weight:204.31260000
Formula:C14 H20 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:white to pale yellow solid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 46.00 to 47.00 °C. @ 760.00 mm Hg
Boiling Point: 280.00 to 281.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 2.913 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 4.209 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 cream
 detergent
 fabric softener
 soap
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:504 hour(s) at 100.00 %
dry woody labdanum rose musk orangeflower
Odor Description:at 10.00 % in dipropylene glycol. strong dry woody labdanum rose musk orangeflower
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Creatingperfume.com
Orinox 50 (PFW)
Odor: strong dry woody Labdanum rose character, with a musky orange blossom background
Keva
ORINOX
Odor: has a strong dry woody Labdanum rose character, with a musky orange blossom background
Moellhausen
ORINOX
Odor: woody, floral (labdanum, rose), musky
PCW France
Orinox™
Steps to a fragranced product
Penta International
4-tert-BUTYL-2,6-DIMETHYLACETOPHENONE
Perfumery Laboratory
LABDANUM ETANON 50 PFW (labdanum ethanone 50 PFW)
Odor: very strong, dry, musky musk of labdanum with a note of orange blossoms
Sigma-Aldrich: Aldrich
For experimental / research use only.
4'-tert-Butyl-2',6'-dimethylacetophenone 98%
SRS Aromatics
ORINOX
The John D. Walsh Company
Orinox
 
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
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
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
 
References:
 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):74879
Pubchem (sid):135031200
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
amber
amber acetate
FR
amber cyclohexanol
FR
amber specialty
FR
amber spirolene
FR
ambrein
FR
cistus ladaniferus resinoid
FR
animal
animal carbolactone
FR
costus valerolactone
FR
balsamic
mastic gum resin
FR
floral
acetyl tetralin
FR
floral pyranol
FR
floral undecenone
FR
gardenia oxide
FR
heliotropyl diethyl acetal
FR
ho leaf oil
FR
musk acetate
FR
orris pyridine 25% IPM
FR
peony alcohol
FR
primrose fragrance
FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
allyl isononylate
FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
green acetate
FR
green
methyl cyclocitrone (IFF)
FR
oakmoss oil
FR
herbal
clary specialty
FR
herbal carene
FR
nopyl acetate
FR
marine
marine pyridine
FR
melon
watermelon ketone
FR
mossy
treemoss absolute
FR
veramoss (IFF)
FR
powdery
midnight passion fragrance
FR
tonka
coumarin
FR
deertongue absolute
FR
tonka bean absolute
FR
woody
atlas
cedarwood absolute
FR
atlas
cedarwood oil
FR
cedrela wood oil
FR
cedrenyl acetate
FR
cedrol methyl ether
FR
cedryl methyl ether
FR
2-
decalinyl formate
FR
gurjun balsam oil
FR
hinoki root oil
FR
labdanum concrete
FR
louro brasileiro wood oil
FR
methyl vetivate
FR
patchouli ethanone
FR
patchouli fractions
FR
sandalwood oil west australia (santalum spicata)
FR
santall
FR
thujopsis dolabrata wood oil
FR
tobacarol (IFF)
FR
woody acetate
FR
(Z)-
woody amylene
FR
woody ether
FR
woody propanol
FR
For Flavor
 
Potential Uses:
FRamber
FRanimal
FRbalsam
FRfloral
FRherbal
FL/FRlabdanum
FRmusk
FRorange blossom
FRoriental
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
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]-
 labdanum ethanone
 orinox (PFW)
 

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