2-cyclohexyl cyclohexanone
bicyclohexanone P (IFF)
 
Notes:
None found
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      Product(s):
      C0612 2-Cyclohexylcyclohexanone >95.0%(GC)
       
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2-cyclohexylcyclohexan-1-one (Click)
CAS Number: 90-42-6Picture of molecule
Other: 112684-84-1
ECHA EINECS - REACH Pre-Reg: 201-991-4
FDA UNII: B3QU3533W8
Nikkaji Web: J41.835H
Beilstein Number: 1865785
MDL: MFCD00013795
XlogP: 3.70 (est)
Molecular Weight: 180.29060000
Formula: C12 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid to solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97100 to 0.97700 @  25.00 °C.
Pounds per Gallon - (est).: 8.080 to  8.130
Refractive Index: 1.48500 to 1.49000 @  20.00 °C.
Melting Point: -32.00 °C. @ 760.00 mm Hg
Boiling Point: 264.00 to  265.00 °C. @ 760.00 mm Hg
Acid Value: 5.00 max. KOH/g
Vapor Pressure: 0.010000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.810
Soluble in:
 alcohol
 water, 30.41 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 cyclamen  sweet  herbal  cumin  minty  woody  orris  ozone  
Odor Description:
at 100.00 %. 
cyclamen sweet herbal cumin mint woody orris ozone
Luebke, William tgsc, (1988)
Substantivity: 44 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
2-Cyclohexylcyclohexanone
Savoury Systems International
2-Cyclohexylcyclohexanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Cyclohexylcyclohexanone
TCI AMERICA
For experimental / research use only.
2-Cyclohexylcyclohexanone >95.0%(GC)
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Safety Information:
Preferred SDS: View
 
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:
oral-rat LD50  5000 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 7800 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for 2-cyclohexyl cyclohexanone usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for 2-cyclohexyl cyclohexanone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
NLM Hazardous Substances Data Bank: Search
EPA Substance Registry Services (TSCA): 90-42-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7016
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2-cyclohexylcyclohexan-1-one
Chemidplus: 0000090426
RTECS: DT7400000 for cas# 90-42-6
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References:
 2-cyclohexylcyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 90-42-6
Pubchem (cid): 7016
Pubchem (sid): 134970946
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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: 2914.29.5000
Haz-Map: View
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 satinaldehydeFL/FR
(E)-verbenolFL/FR
(Z)-verbenolFL/FR
aldehydic
 citronellyl oxyacetaldehydeFL/FR
 geranyl oxyacetaldehydeFR
 muguet undecadienalFR
N/i-tridecanalFR
balsamic
 benzyl salicylateFL/FR
isobornyl formateFL/FR
 verbenolFL/FR
camphoreous
 herbal ethanoneFR
citrus
(S)-(-)-citronellalFL/FR
(Z)-4-decenalFL/FR
isodecyl acetateFR
 marine decadienalFR
 myrmac aldehydeFR
10-undecen-1-olFL/FR
coconut
3-butyl bicyclo[3.2.1]octan-2-oneFR
floral
 citronellyl ethoxalateFR
 cumin carbinolFR
 cyclamen aldehydeFL/FR
 cyclamen homoaldehydeFR
 cyclamen propanalFR
 cyclohexyl propanolFR
2-decalinolFR
 ethyl linalyl acetalFR
(E,E)-farnesolFL/FR
 floral butanalFR
 floral pyranolFR
 hawthorn ethanolFR
 hyacinth acetalsFL/FR
(E)-beta-iononeFL/FR
 jasimiaFR
 leerallFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 magnolia cyclohexanolFR
 methoxycitronellalFR
alpha-isomethyl ionone (50% min.)FL/FR
 muguet butanalFR
 muguet butanolFR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet propanolFR
 muguet shiseolFL/FR
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 phenyl glycol diacetateFR
 rose absolute pentanolFR
fresh
 decyl vinyl etherFR
fruity
 tropical iononeFL/FR
green
3,5,6-neocyclocitralFR
 fresh nitrileFR
 green heptenalFR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl oxyacetaldehydeFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
hay
para-methyl phenoxyacetaldehydeFR
herbal
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 carrot seed oil (daucus carota ssp. maximus (desf.) ball)FR
 daucus carota fruit oilFL/FR
(Z)-isodihydrolavandulyl acetateFR
 floral nitrileFR
isononyl acetateFR
 perillaldehydeFL/FR
 savin wood oil (juniperus phoenicea)FL/FR
common tansy flower oilFR
common tansy flower oil dutchFR
marine
 marine carbonitrileFR
 marine hexaneFR
 marine pyridineFR
 ocean carboxaldehydeFR
 ozone propanalFR
melon
 melon heptenalFL/FR
minty
trans-para-menthan-2-oneFL/FR
2,4,4,6-tetramethyl cyclohexa-2,5-diene-1-oneFR
orris
2(1)-orris butanalFL/FR
 orris capronateFL/FR
powdery
 dimethyl iononeFR
(E)-alpha-methyl ionone (44-50%)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
thujonic
common tansy oil canadaFR
tropical
 patchwoodFR
woody
para-tert-butyl cyclohexanoneFR
 woody hepteneFR
 
For Flavor
 
No flavor group found for these
(S)-(-)-citronellalFL/FR
(E,E)-farnesolFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
alpha-isomethyl ionone (50% min.)FL/FR
2(1)-orris butanalFL/FR
 savin wood oil (juniperus phoenicea)FL/FR
10-undecen-1-olFL/FR
(Z)-verbenolFL/FR
(E)-verbenolFL/FR
aromatic
 hyacinth acetalsFL/FR
balsamic
 benzyl salicylateFL/FR
citrus
 citronellyl oxyacetaldehydeFL/FR
(Z)-4-decenalFL/FR
floral
 muguet shiseolFL/FR
 ocean propanalFL/FR
 satinaldehydeFL/FR
 tropical iononeFL/FR
fruity
(E)-alpha-methyl ionone (74-80%)FL/FR
green
 cyclamen aldehydeFL/FR
 heptanal (aldehyde C-7)FL/FR
 melon heptenalFL/FR
herbal
 daucus carota fruit oilFL/FR
 orris capronateFL/FR
 verbenolFL/FR
minty
trans-para-menthan-2-oneFL/FR
spicy
 perillaldehydeFL/FR
woody
isobornyl formateFL/FR
(E)-beta-iononeFL/FR
 
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Potential Uses:
 clean 
 floralFR
 herbalFR
 lilyFR
 orris iris 
 ozone 
 woody 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,1'-bi(cyclohexyl)-2-one
 bicyclohexanone P (IFF)
(1,1'-bicyclohexyl)-2-one
(1,1'-bicyclohexyl)one
[1,1'-bicyclohexyl]-2-one
[1,1'-biphenyl]-2-ol
 cyclohexanone, 2-cyclohexyl-
2-cyclohexyl cyclohexan-1-one
2-cyclohexylcyclohexan-1-one
 cyclohexylcyclohexanone
2-cyclohexylcyclohexanone
o-diphenylol
 dorvicide A
2-hydroxybifenyl
 lavamenthe
2-phenylcyclohexanone
 tumescal 0PE
o-xenol
o-xonal
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