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

2-cyclohexyl cyclohexanone
bicyclohexanone P (IFF)

Sponsors

Name: 2-cyclohexylcyclohexan-1-one
CAS Number: 90-42-6Picture of molecule3D/inchi
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:
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
PubMed: Search
NCBI: Search
 
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
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
Substantivity: 44 hour(s) at 100.00 %
 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)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
2-Cyclohexylcyclohexanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Cyclohexylcyclohexanone
TCI AMERICA
For experimental / research use only.
2-Cyclohexylcyclohexanone >95.0%(GC)
 
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
 
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.
 
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
 
References:
 2-cyclohexylcyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 90-42-6
Pubchem (cid): 7016
Pubchem (sid): 134970946
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
geranyl oxyacetaldehyde
FR
muguet undecadienal
FR
N/i-
tridecanal
FR
camphoreous
herbal ethanone
FR
citrus
iso
decyl acetate
FR
marine decadienal
FR
myrmac aldehyde
FR
coconut
3-
butyl bicyclo[3.2.1]octan-2-one
FR
floral
citronellyl ethoxalate
FR
cumin carbinol
FR
cyclamen homoaldehyde
FR
cyclamen propanal
FR
cyclohexyl propanol
FR
2-
decalinol
FR
ethyl linalyl acetal
FR
floral butanal
FR
floral pyranol
FR
hawthorn ethanol
FR
jasimia
FR
leerall
FR
lilyall
FR
lilyall / methyl anthranilate schiff's base
FR
magnolia cyclohexanol
FR
methoxycitronellal
FR
muguet butanal
FR
muguet butanol
FR
muguet carboxaldehyde
FR
muguet ethanol
FR
muguet nitrile
FR
muguet propanol
FR
ocean propanal / methyl anthranilate schiff's base
FR
phenyl glycol diacetate
FR
rose absolute pentanol
FR
fresh
decyl vinyl ether
FR
green
3,5,6-neo
cyclocitral
FR
fresh nitrile
FR
green heptenal
FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
hay
para-
methyl phenoxyacetaldehyde
FR
herbal
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
carrot seed oil (daucus carota ssp. maximus (desf.) ball)
FR
(Z)-iso
dihydrolavandulyl acetate
FR
floral nitrile
FR
iso
nonyl acetate
FR
common
tansy flower oil
FR
common
tansy flower oil dutch
FR
marine
marine carbonitrile
FR
marine hexane
FR
marine pyridine
FR
ocean carboxaldehyde
FR
ozone propanal
FR
minty
2,4,4,6-
tetramethyl cyclohexa-2,5-diene-1-one
FR
powdery
dimethyl ionone
FR
thujonic
common
tansy oil canada
FR
tropical
patchwood
FR
woody
para-tert-
butyl cyclohexanone
FR
woody heptene
FR
For Flavor
 
Potential Uses:
 clean 
 floralFR
 herbalFR
 lilyFR
 orris iris 
 ozone 
 woody 
 
Occurrence (nature, food, other): note
 not found in nature
 
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
 
 
Notes:
None found
 
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy