para-tert-butyl cyclohexanone
cyclohexanone, 4-(1,1-dimethylethyl)-
 
Notes:
None found
  • Augustus Oils
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      para-tertiary-butyl cyclohexanone (rodox)
       
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      IFF096 Butyl Cyclohexanone PT Recrys
       
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      02-57800 p-tert-BUTYLCYCLOHEXANONE
       
  • Synerzine
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      W2253 p-t-Butylcyclohexanone
       
  • TCI AMERICA
    • TCI AMERICA
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      B1074 4-tert-Butylcyclohexanone >97.0%(GC)
       
  • The John D. Walsh Company
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      The John D. Walsh Company, Inc. has evolved from its beginnings as an agent/broker into a distributor of essential oils, aroma chemicals, concretes and absolutes. We currently represent the following companies, as their North American distributor: Destilerias Munoz Galvez, S.A. International Flavors & Fragrances PFW Aroma Chemicals B.V. Innospec Widnes Limited Hydrodiffusion de Guatemala, S. A. DSM Nutritional Products The John D. Walsh Company, Inc. is proud to be a founding member of IFEAT, an active member of IFRA, North America, and a corporate sponsor of the WFFC.
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      para-tert-Butyl Cyclohexanone
       
  • The Lermond Company
    • The Lermond Company
      Your Sourcing Resource
      The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
      The Lermond Company is a women-owned distributor of raw materials primarily servicing the flavor and fragrance industry. For three generations, members of the Lermond family have been integral sourcing partners for the North American flavor and fragrance industry. We supply high quality essential oils, aroma chemicals, absolutes, concretes, resinoids and floral waters from around the world to the global industry.
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      47855 PARA TERTIARY BUTYL CYCLO HEXANONE CRY
       
  • Ernesto Ventós
Synonyms   Articles   Notes   Search
Fragrance Demo Formulas
CAS Number: 98-53-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-678-5
FDA UNII: 4M45G11K23
Nikkaji Web: J16.217E
Beilstein Number: 0507309
MDL: MFCD00001642
XlogP3: 2.60 (est)
Molecular Weight: 154.25266000
Formula: C10 H18 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
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Google Patents: Search
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Physical Properties:
Appearance: white crystals (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 44.00 to  50.00 °C. @ 760.00 mm Hg
Boiling Point: 224.00 to  225.00 °C. @ 760.00 mm Hg
Boiling Point: 113.00 to  116.00 °C. @ 20.00 mm Hg
Vapor Pressure: 0.088000 mmHg @ 25.00 °C. (est)
Flash Point: 192.00 °F. TCC ( 88.89 °C. )
logP (o/w): 2.630 (est)
Soluble in:
 alcohol
 water, slightly
 water, 239.8 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: woody
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
Substantivity: 16 hour(s) at 20.00 % in dipropylene glycol
 
 woody  minty  patchouli  musk  leathery  
Odor Description:
at 1.00 % in dipropylene glycol. 
woody mint patchouli musk leather
Luebke, William tgsc, (1989)
 
Odor and/or flavor descriptions from others (if found).
 
Moellhausen
PATCHOULY KETONE
Odor Description: woody, minty character, suggestive of patchouli alcohol
Taste Description: dry, camphoraceous, somewhat minty and patchouli-like
 
Nactis Flavours
IRISONE crystallised
Odor Description: strong woody note with camphorerous top note effect enhanced by powdery orris and spicy facets
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
Augustus Oils
Para Tert Butylcyclohexanone
Services
Berjé
P.T.B.C. Hexanone
Happening at Berje
EMD Millipore
For experimental / research use only.
4-tert-Butylcyclohexanone
Ernesto Ventós
IRISONE PCAS
Odor: IRIS,WOODY,CAMPHOR,MINTY,PUNGENT
Fleurchem
para-tertiary-butyl cyclohexanone (rodox)
Frinton Laboratories
For experimental / research use only.
p-tert-Butylcyclohexanone
Global Essence
Irisone Crystal
Indukern F&F
IRISONE (PTBCH KETONE)
Odor: WOODY, ORRIS, CAMPHORATED, MENTHOLATED
M&U International
Butyl Cyclohexanone PT Recrys
Moellhausen
PATCHOULY KETONE
Odor: woody, minty character, suggestive of patchouli alcohol
Flavor: dry, camphoraceous, somewhat minty and patchouli-like
Nactis Flavours
IRISONE crystallised
Odor: strong woody note with camphorerous top note effect enhanced by powdery orris and spicy facets
PCAS
Irisone Cryst., Kosher
Penta International
p-tert-BUTYLCYCLOHEXANONE
Santa Cruz Biotechnology
For experimental / research use only.
4-tert-Butylcyclohexanone
Synerzine
p-t-Butylcyclohexanone
TCI AMERICA
For experimental / research use only.
4-tert-Butylcyclohexanone >97.0%(GC)
The John D. Walsh Company
para-tert-Butyl Cyclohexanone
The Lermond Company
PARA TERTIARY BUTYL CYCLO HEXANONE CRY
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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
Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975.

Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975.

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 para-tert-butyl cyclohexanone usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for para-tert-butyl cyclohexanone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 98-53-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7392
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 4-tert-butylcyclohexan-1-one
Chemidplus: 0000098533
RTECS: GW1140000 for cas# 98-53-3
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References:
 4-tert-butylcyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 98-53-3
Pubchem (cid): 7392
Pubchem (sid): 134971303
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 ambroxideFL/FR
 cistus ladaniferus resinoidFL/FR
 labdanum absoluteFL/FR
 labdanum oilFL/FR
balsamic
isobornyl formateFL/FR
 opoponax absolute (commiphora erythraea var. glabrescens engle)FL/FR
 opoponax resinoid (commiphora erythraea var. glabrescens engle)FR
camphoreous
 herbal ethanoneFR
coconut
3-butyl bicyclo[3.2.1]octan-2-oneFR
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
2-cyclohexyl cyclohexanoneFR
isodihydrolavandulolFR
(Z)-isodihydrolavandulyl acetateFR
 dimethyl cyclormol (IFF)FR
 niaouli oilFR
 pine hexanolFR
common tansy flower oilFR
common tansy flower oil dutchFR
minty
trans-para-menthan-2-oneFL/FR
2,4,4,6-tetramethyl cyclohexa-2,5-diene-1-oneFR
musk
 ethylene brassylateFL/FR
 musk decanolideFR
 musk indanoneFR
spicy
 clove stem oilFL/FR
terpenic
 frankincense oilFL/FR
thujonic
common tansy oil canadaFR
woody
 amber dodecaneFR
 amber pentadecaneFR
atlas cedarwood absoluteFR
atlas cedarwood oilFR
alpha-cedrene epoxideFR
 frankincense resinoidFL/FR
 herbal norbornaneFR
 methyl cedryl ketoneFL/FR
delta-methyl iononeFL/FR
 patchouli ethanolFR
 patchouli hexanolFR
 patchouli oil chinaFL/FR
 pinacolFR
cis-2-pinanolFR
 sandal butenolFR
 sandal pentenolFL/FR
 verdoxanFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 
For Flavor
 
No flavor group found for these
 ambroxideFL/FR
 cistus ladaniferus resinoidFL/FR
delta-methyl iononeFL/FR
 sandal pentenolFL/FR
amber
 labdanum absoluteFL/FR
 labdanum oilFL/FR
balsamic
 opoponax absolute (commiphora erythraea var. glabrescens engle)FL/FR
minty
trans-para-menthan-2-oneFL/FR
musk
 ethylene brassylateFL/FR
spicy
 clove stem oilFL/FR
woody
isobornyl formateFL/FR
 frankincense oilFL/FR
 frankincense resinoidFL/FR
 methyl cedryl ketoneFL/FR
 patchouli oil chinaFL/FR
 
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Potential Uses:
 balsamFR
 cedarFR
 herbalFR
 muskFR
 patchouliFR
 pineFR
 woodyFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
4-tert-butyl cyclohexan-1-one
4-tert-butyl cyclohexanone
para-tertiary-butyl cyclohexanone (rodox)
P-tert-butyl-cyclohexanon
4-tert-butyl-cyclohexanone
4-(tert-butyl)cyclohexan-1-one
4-(tert-butyl)cyclohexanone
4-tert-butylcyclohexan-1-one
4-tert-butylcyclohexanone
p-t-butylcyclohexanone
p-tert-butylcyclohexanone
para-tert-butylcyclohexanone
 cyclohexanone, 4- (1, 1-dimethylethyl)-
 cyclohexanone, 4-(1,1-dimethylethyl)-
 cyclohexanone, 4-tert-butyl-
4-(1,1-dimethyl ethyl) cyclohexanone
4-(1,1-dimethylethyl)cyclohexanone
 irisone crystallised (Synarome)
 P.T.B.C. hexanone
 patchouli ketone
 patchouly ketone
 phenol, 4- (1, 1-dimethylethyl)-
 PTBP
 rodox
 ucar butylphenol 4-T
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Palladium-catalyzed decarboxylative allylic alkylation of diastereomeric β-ketoesters.
PubMed: Optimisation of a lithium magnesiate for use in the non-cryogenic asymmetric deprotonation of prochiral ketones.
PubMed: On the synergistic catalytic properties of bimetallic mesoporous materials containing aluminum and zirconium: the Prins cyclisation of citronellal.
PubMed: Asymmetric solid-phase alkylation of ketones immobilized via SAMP hydrazone analogue linkers.
PubMed: Samarium Ion-Promoted Cross-Aldol Reactions and Tandem Aldol/Evans-Tishchenko Reactions.
PubMed: Parabolic Relationship between the Basicity of the Nucleophile and pi-Face Selection in Addition of the Substituted Acetylide Ions to Cyclohexanone and Cyclohexanethione.
PubMed: Cyclic Hydroborate Complexes of Metallocenes II: Reactivity of (&mgr;-H)(2)(BC(5)H(10))(2) and Its Cyclic Derivative, [H(2)BC(5)H(10)](-); Synthesis of (eta(5)-C(5)H(5))(2)MCl(&mgr;-H)(2)BC(5)H(10) (M = Zr, Hf).
PubMed: [Development of highly stereoselective reactions utilizing heteroatoms--new approach to the stereoselective Horner-Wadsworth-Emmons reaction].
PubMed: Stereoselective reactions. XXXII. Enantioselective deprotonation of 4-tert-butylcyclohexanone by fluorine-containing chiral lithium amides derived from 1-phenylethylamine and 1-(1-naphthyl)ethylamine.
PubMed: Convulsant and anticonvulsant cyclopentanones and cyclohexanones.
PubMed: Effect of cyclohexanone derivatives on percutaneous absorption of ketoprofen and indomethacin.
PubMed: The metabolism of the isomeric tert.-butylcyclohexanones.
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