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4-tert-butyl cyclohexane carboxaldehyde
4-(1,1-dimethylethyl) cyclohexane carboxaldehyde

Supplier Sponsors

Name:4-tert-butylcyclohexane-1-carbaldehyde
CAS Number: 20691-52-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:243-974-4
Nikkaji Web:J225.305D
XlogP3-AA:3.20 (est)
Molecular Weight:168.27960000
Formula:C11 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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 221.00 to 222.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.100000 mmHg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 3.676 (est)
Soluble in:
 alcohol
 water, 30.23 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
floral woody
Odor Description:at 10.00 % in dipropylene glycol. floral woody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-tert-Butylcyclohexane-1-carbaldehyde
 
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4-tert-butyl cyclohexane carboxaldehyde usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for 4-tert-butyl cyclohexane carboxaldehyde flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):20691-52-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :88655
National Institute of Allergy and Infectious Diseases:Data
4-tert-butylcyclohexane-1-carbaldehyde
Chemidplus:0020691525
 
References:
 4-tert-butylcyclohexane-1-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:20691-52-5
Pubchem (cid):88655
Pubchem (sid):135046569
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
balsamic
balsamic
brachyleana hutchinsii wood oil
FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
floral
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ho wood oil
FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
linaloe wood oil mexico
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
petitgrain cedrat oil
FL/FR
styralyl formate
FL/FR
vetiver pentanone
FR
fruity
iso
butyl furyl propionate
FL/FR
tropical ionone
FL/FR
green
iso
green methanoindene
FR
(E)-2-
hexen-1-yl salicylate
FR
herbal
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
orris
beta-
methyl ionone
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
spicy
spicy carbonate
FR
woody
dihydro-beta-ionol
FL/FR
patchouli ethanone
FR
sandal octanol
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
linaloe wood oil mexico
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-beta-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
styralyl formate
FL/FR
iso
butyl furyl propionate
FL/FR
citrus
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
floral
alpha-
ionone
FL/FR
beta-
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
tropical ionone
FL/FR
green
linalool oxide
FL/FR
herbal
immortelle flower oil
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
woody
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
 
Potential Uses:
FRacacia
FRcurrant black currant
FRfloral
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
4-tert-butyl cyclohexane carbaldehyde
4-tert-butyl-cyclohexanecarboxaldehyde
4-tert-butylcyclohexane-1-carbaldehyde
4-tert-butylcyclohexanecarbaldehyde
 cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-
4-(1,1-dimethyl ethyl) cyclohexane carboxaldehyde
4-(1,1-dimethylethyl) cyclohexane carboxaldehyde
 racinal
 

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