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

vetiver pentanone
vetival (Symrise)

Sponsors

Name:4-cyclohexyl-4-methylpentan-2-one
CAS Number: 4927-39-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-562-6
FDA UNII:D21000AYE2
Nikkaji Web:J68.888F
XlogP3-AA:3.80 (est)
Molecular Weight:182.30654000
Formula:C12 H22 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:pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91000 to 0.91600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.572 to 7.622
Refractive Index:1.46350 to 1.46950 @ 20.00 °C.
Boiling Point: 70.00 °C. @ 1.00 mm Hg
Boiling Point: 241.00 to 243.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.049000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.714 (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, 25.66 mg/L @ 25 °C (est)
Stability:
 AP roll-on 15% (very good)
 bleach (poor)
 body lotion (good)
 cleaner APC liquid (excellent)
 cleaner liquid citric acid (very good)
 detergent powder conc. (very good)
 shampoo/shower gel (very good)
 soap (very good)
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:20 hour(s) at 100.00 %
floral woody vetiver waxy
Odor Description:at 100.00 %. floral woody vetiver waxy
Luebke, William tgsc, (1987)
Odor sample from: Naarden International
Odor and/or flavor descriptions from others (if found).
Symrise
Vetival®
Odor Description:woody, vetiver, citrus, floral. gives a clean freshness to vetiver accords; gives tart and bitter elements to citrus top notes; underlines red fruit characteristics
Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (excellent), bleach (poor).
Moellhausen
VETIVAL
Odor Description:mild woody, somewhat vetiveryl acetate-like
Pell Wall Perfumes
Vetival
Odor Description:floral, woody, vetiver, vetiveryl acetate, ambery
Arcadi Boix Camps, writing in 1985, says that this material “has a top note very typical of the essential oil of vetiver but without the woody note of vetiverol” but also points out that it is not a full substitute for the natural oil as it lacks the radiant effect.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Associate Allied Chemicals
Vetival
About
Ernesto Ventós
VETIVAL
Odor: FLORAL,HERBAL,VETIVER,WOODY,MINT
Indukern F&F
VETIVAL
Liaison Carbone
VETIVAL® 105274
Moellhausen
VETIVAL
Odor: mild woody, somewhat vetiveryl acetate-like
Pell Wall Perfumes
Vetival
Odor: floral, woody, vetiver, vetiveryl acetate, ambery
Use: Arcadi Boix Camps, writing in 1985, says that this material “has a top note very typical of the essential oil of vetiver but without the woody note of vetiverol” but also points out that it is not a full substitute for the natural oil as it lacks the radiant effect.
Perfumery Laboratory
Vetiver pentanone Symrise (Vetiver pentanone Symrise)
Odor: Woody, vetiver with citrus and floral notes
Symrise
Vetival®
Odor: woody, vetiver, citrus, floral. gives a clean freshness to vetiver accords; gives tart and bitter elements to citrus top notes; underlines red fruit characteristics
Use: Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (excellent), bleach (poor).
 
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
Recommendation for vetiver pentanone usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for vetiver pentanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):4927-39-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78640
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-cyclohexyl-4-methylpentan-2-one
Chemidplus:0004927393
 
References:
 4-cyclohexyl-4-methylpentan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4927-39-3
Pubchem (cid):78640
Pubchem (sid):135036068
 
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
Export Tariff Code:2914.29
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
aldehydic
aldehydic
adoxal (Givaudan)
FL/FR
amber
acetoxymethyl isolongifolene
FR
amber spirolene
FR
formoxymethyl isolongifolene
FR
animal
iso
butyl quinoline
FR
balsamic
brachyleana hutchinsii wood oil
FR
guaiacyl phenyl acetate
FL/FR
berry
sec-
butyl ethyl ether
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citrus woody floral fragrance
FR
grapefruit indene
FR
grapefruit nitrile
FR
grapefruit pentanol
FR
myrcenyl acetate
FL/FR
10-
undecen-1-ol
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
patchouli cyclohexanol
FR
floral
4-tert-
butyl cyclohexane carboxaldehyde
FR
cassie absolute
FL/FR
cyclohexyl ethyl alcohol
FL/FR
delta-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
4-
dimethyl ionone
FR
elder flower wood specialty
FR
gardenia decalone
FR
hexyl 2-furoate
FL/FR
ho wood oil
FR
alpha-
ionol
FL/FR
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
alpha-
ionyl acetate
FR
alpha-
irone
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
lily flower absolute
FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
melaleuca ericifolia leaf oil
FR
methyl citronellate
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (60% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
methyl ionyl acetate
FL/FR
2-
methyl naphthalene
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
nerolidol
FL/FR
3-
nonanon-1-yl acetate
FL/FR
bitter
orangeflower concrete
FR
bitter
orangeflower concrete morocco
FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome absolute replacer
FR
petitgrain cedrat oil
FL/FR
petitgrain oil terpenes
FR
phenethyl hexanoate
FL/FR
phenyl glycol diacetate
FR
rose concrete (rosa centifolia)
FR
styralyl formate
FL/FR
fruity
iso
butyl furyl propionate
FL/FR
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
linalool oxide acetates
FL/FR
octyl propionate
FL/FR
tropical ionone
FL/FR
green
bergoxane
FR
iso
green methanoindene
FR
(E)-2-
hexen-1-yl salicylate
FR
para-
methyl hydratropaldehyde
FL/FR
herbal
bornane-3,1-cyclopenta-2-one
FR
calendula officinalis flower oil CO2 extract
FR
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
marigold pot flower oil
FL/FR
mossy
moss specialty
FR
musk
amyris specialty
FR
ethylene brassylate
FL/FR
orris
beta-
methyl ionone
FL/FR
powdery
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
rummy
rum extract
FL/FR
spicy
iso
eugenol
FL/FR
white
sassafras oil
FL/FR
spicy carbonate
FR
terpenic
alpha-
terpineol
FL/FR
woody
agarwood oil replacer
FR
amyris acetate
FR
anthocephalus cadamba oil
FR
bois de rose leaf oil brazil
FL/FR
iso
butyl ionone
FR
cabreuva wood oil
FR
cedar cyclododecatriene
FR
cedrenyl acetate
FR
cedryl formate
FR
chloranthus spicatus absolute
FR
2-
decalinyl acetate
FR
dihydro-beta-ionol
FL/FR
guaiacwood extract acetate
FR
herbal norbornane
FR
homalomena rubescens root oil
FR
methyl cedryl ketone
FL/FR
alpha-iso
methyl ionol
FR
3-
methyl pentyl angelate
FR
iso
methyl tetrahydroionyl acetate
FR
patchouli ethanone
FR
sandal octanol
FR
santalyl acetate
FL/FR
vetiveryl acetate
FL/FR
vetylbois
FR
(Z)-
woody amylene
FR
zdravetz absolute
FR
zdravetz oil
FL/FR
For Flavor
No flavor group found for these
sec-
butyl ethyl ether
FL/FR
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
linalool oxide acetates
FL/FR
marigold pot flower oil
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-beta-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
alpha-iso
methyl ionone (60% min.)
FL/FR
white
sassafras oil
FL/FR
styralyl formate
FL/FR
10-
undecen-1-ol
FL/FR
vetiveryl acetate
FL/FR
zdravetz oil
FL/FR
iso
butyl furyl propionate
FL/FR
berry
berry
dihydro-alpha-ionone
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
alpha-
terpineol
FL/FR
estery
octyl propionate
FL/FR
floral
bois de rose leaf oil brazil
FL/FR
alpha-
ionone
FL/FR
methyl citronellate
FL/FR
beta-
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
tropical ionone
FL/FR
fruity
3-
nonanon-1-yl acetate
FL/FR
green
cyclohexyl ethyl alcohol
FL/FR
hexyl 2-furoate
FL/FR
linalool oxide
FL/FR
para-
methyl hydratropaldehyde
FL/FR
nerolidol
FL/FR
herbal
immortelle flower oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
musk
ethylene brassylate
FL/FR
oily
2-
methyl naphthalene
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
rummy
rum extract
FL/FR
spicy
cassie absolute
FL/FR
iso
eugenol
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
waxy
adoxal (Givaudan)
FL/FR
phenethyl hexanoate
FL/FR
woody
delta-
damascone
FL/FR
alpha-
ionol
FL/FR
(E)-beta-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
methyl cedryl ketone
FL/FR
methyl ionyl acetate
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
FRfloral
FRherbal
FRmint
FRvetiver
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
4-cyclohexyl methyl-2-pentanone
 cyclohexyl-4-methyl pentan-2-one
4-cyclohexyl-4-methyl pentan-2-one
4-cyclohexyl-4-methyl-2-pentanone
4-cyclohexyl-4-methyl-pentan-2-one
4-cyclohexyl-4-methylpentan-2-one
2-pentanone, 4-cyclohexyl-4-methyl-
 vetival (Symrise)
 vetiver pentanone
 vetivertone
 vetyval
 

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Notes:
Vetiver replacer.
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