4-tert-butyl cyclohexane carboxaldehyde
4-(1,1-dimethylethyl) cyclohexane carboxaldehyde
 
Notes:
None found
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      Product(s):
      20691-52-5 4-tert-Butylcyclohexane-1-carbaldehyde
       
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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
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Perfumer and Flavorist: Search
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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
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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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
4-tert-Butylcyclohexane-1-carbaldehyde
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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
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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.
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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
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References:
 4-tert-butylcyclohexane-1-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 20691-52-5
Pubchem (cid): 88655
Pubchem (sid): 135046569
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-beta-methyl iononeFL/FR
balsamic
 brachyleana hutchinsii wood oilFR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
floral
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ho wood oilFR
alpha-iononeFL/FR
beta-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 petitgrain cedrat oilFL/FR
 styralyl formateFL/FR
 vetiver pentanoneFR
fruity
isobutyl furyl propionateFL/FR
 tropical iononeFL/FR
green
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
herbal
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
orris
beta-methyl iononeFL/FR
powdery
(E)-alpha-methyl ionone (50-60%)FL/FR
spicy
 spicy carbonateFR
woody
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
 patchouli ethanoneFR
 sandal octanolFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
 linaloe wood oil mexicoFL/FR
(Z)-linalool oxide (furanoid)FL/FR
beta-isomethyl iononeFL/FR
(E)-beta-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 styralyl formateFL/FR
isobutyl furyl propionateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
floral
alpha-iononeFL/FR
beta-methyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 tropical iononeFL/FR
green
 linalool oxideFL/FR
herbal
 immortelle flower oilFL/FR
sweet
 orris rhizome absolute (iris pallida)FL/FR
woody
3',4'-dimethoxyacetophenone 
beta-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 
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Potential Uses:
 acaciaFR
 currant black currantFR
 floralFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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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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Articles:
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