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

patchouli hexanol
patchone (IFF)

Sponsors

Fragrance Demo Formulas
Name:4-tert-butylcyclohexan-1-ol
CAS Number: 98-52-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-676-4
FDA UNII:K0H1405S9C
Nikkaji Web:J23.542C
Beilstein Number:1902277
MDL:MFCD00001473
XlogP3:3.00 (est)
Molecular Weight:156.26860000
Formula:C10 H20 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
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:white solid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Melting Point: 65.00 to 70.00 °C. @ 760.00 mm Hg
Boiling Point: 110.00 to 115.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.035000 mm/Hg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 3.092 (est)
Shelf Life: 36.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 528.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
woody musty patchouli camphoreous minty leathery
Odor Description:at 100.00 %. woody musty patchouli camphor mint leather
Luebke, William tgsc, (1993)
Odor sample from: Fragrance Resources Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
perfuming agents
 
Suppliers:
Azelis UK
APOPATCHONE COEUR
Services
BOC Sciences
For experimental / research use only.
4-tert-Butylcyclohexanol 95%
CG Herbals
Para Tertiary Butyl Cyclo Hexanyl
Charkit Chemical
BUTYLCYCLOHEXANOL, 4-TERT (PATCHONE)
Diffusions Aromatiques
ALCOOL PTBCH
Ernesto Ventós
PTBCH ALCOHOL HINDUSTAN
Odor: WOODY,PINE,BALSAMIC,CAMPHORACEUOS
Ernesto Ventós
PTBCH ALCOHOL
Odor: WOODY,PINE,BALSAMIC,CAMPHORACEUOS
Eternis Fine Chemicals
PTBCH
Odor: Woody, Pine-like Balsamic light, camphoraceous
Use: PTBCH has a dull woody camphoraceous odor and is used in perfumes to provide these impressions. However, its major use is as a starting raw material for PTBCHA, a very important perfumery chemical.
Indukern F&F
PATCHONE - PTBCH ALCOHOL
Odor: CAMPHORATED, PINE, BALSAMIC
Kun Shan P&A
Patchone
Lluch Essence
PATCHONE
Moellhausen
PATCHONE - PTBCH
Odor: woody, patchouli-like
Penta International
p-tert-BUTYL CYCLOHEXANOL
Prodasynth
PTBCH ALCOHOL
SUM ISOMERS > 98; CIS 25 - 33; TRANS 65 - 75
Odor: WOODY,PINE,BALSAMIC,CAMPHORACEUOS
Santa Cruz Biotechnology
For experimental / research use only.
4-tert-Butylcyclohexanol, mixture of cis and trans
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-tert-Butylcyclohexanol, mixture of cis and trans 98%
Synerzine
4-t-Butylcyclohexanol
TCI AMERICA
For experimental / research use only.
4-tert-Butylcyclohexanol (cis- and trans- mixture) >98.0%(GC)
The Good Scents Company
patchouli hexanol
Odor: woody musty patchouli camphor mint leather
The John D. Walsh Company
Patchone
Vigon International
Butyl Cyclohexanol Para
Odor: EXTREMELY DRY, WOODY-CAMPHORACEOUS
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 4200 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 833, 1974.

intraperitoneal-mouse LD50 50 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 833, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for patchouli hexanol usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for patchouli hexanol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):98-52-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7391
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
4-tert-butylcyclohexan-1-ol
Chemidplus:0000098522
RTECS:GV8750000 for cas# 98-52-2
 
References:
 4-tert-butylcyclohexan-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:98-52-2
Pubchem (cid):7391
Pubchem (sid):134971302
 
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:2906.19.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alcoholic
iso
propyl alcohol
FL/FR
amber
cistus ladaniferus resin
FR
balsamic
laevo-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
iso
bornyl formate
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl propionate
FL/FR
myrrh absolute
FL/FR
camphoreous
thujyl alcohol
FL/FR
citrus
ocimene quintoxide
FL/FR
earthy
2-
ethyl fenchol
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
barosma betulina leaf oil
FL/FR
1,4-
cineole
FL/FR
dimethyl cyclormol (IFF)
FR
geranic oxide
FL/FR
herbal dioxane
FR
herbal undecanol
FR
lavandin concrete
FL/FR
methyl cyclogeranate (Firmenich)
FR
origanum oil
FL/FR
origanum oil greece
FL/FR
pine hexanol
FR
pinocarveol
FL/FR
piperitone
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
leathery
leather cyclohexanol
FR
mentholic
peppermint cyclohexanone
FL/FR
musty
ketoiso
phorone
FL/FR
spicy
carvacrol
FL/FR
cassia bark oleoresin
FL/FR
white
sassafras oil
FL/FR
laevo-
verbenone
FL/FR
thujonic
armoise oil
FR
cedarleaf oil terpeneless
FR
woody
para-tert-
butyl cyclohexanone
FR
2-tert-
butyl cyclohexanone
FR
alpha-
cedrene epoxide
FR
herbal norbornane
FR
hinoki root oil
FR
para-
menth-3-en-1-ol
FL/FR
delta-
methyl ionone
FL/FR
patchouli ethanol
FR
patchouli oil china
FL/FR
pinacol
FR
woody dodecane
FR
woody epoxide
FR
woody ether
FR
For Flavor
No flavor group found for these
dextro,laevo-
borneol
FL/FR
iso
bornyl methyl ether
FL/FR
para-
menth-3-en-1-ol
FL/FR
delta-
methyl ionone
FL/FR
white
sassafras oil
FL/FR
laevo-
verbenone
FL/FR
thujyl alcohol
FL/FR
alcoholic
alcoholic
iso
propyl alcohol
FL/FR
balsamic
iso
bornyl propionate
FL/FR
myrrh absolute
FL/FR
camphoreous
laevo-
borneol
FL/FR
geranic oxide
FL/FR
pinocarveol
FL/FR
citrus
ketoiso
phorone
FL/FR
cooling
1,4-
cineole
FL/FR
earthy
2-
ethyl fenchol
FL/FR
green
ocimene quintoxide
FL/FR
herbal
barosma betulina leaf oil
FL/FR
lavandin concrete
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
minty
piperitone
FL/FR
spicy
carvacrol
FL/FR
cassia bark oleoresin
FL/FR
woody
iso
bornyl formate
FL/FR
patchouli oil china
FL/FR
 
Potential Uses:
FRacacia
FRamber
FRambergris
FRambreine
FRamyris
FL/FRangelica
 ash mountain ash
FRbalsam
 bark
FRbayberry
FL/FRbeech
FL/FRbenzoin absolute replacer
FRbergamot
FL/FRbirch tar
FRbois de rose
FRboronia
 boxwood
FLbuchu leaf
FRcabreuva wood
FRcade oil replacer
FRcalamus oil replacer
FL/FRcamphor tree bark
FRcardamom oil replacer
FRcedar
FRcedar forest
FRcedarwood
FRcedarwood atlas
FRcelery
 cigar box
FL/FRcistus
FRcitronella
FRclary sage oil replacer
FRcostus
FL/FRcroton eluteria bark
FRcypress oil replacer
FRdogwood
FRelemi
FRfern
FRfir needle oil replacer
FRforest
FRfrankincense
FL/FRgalangal root
FRgalbanum
FRginger
FRgingergrass
FL/FRguaiacwood
FRgurjun balsam
FRhay new mown hay
FRheather
FRherbal
FRhinoki oil replacer
FL/FRhyssop
FRiris blossom
FRjuniper
FRjuniper berry
FRlabdanum
FRmace
FRmaja
FRmimosa
FRmint
 oakwood
FRopoponax
FL/FRorange bitter orange peel
FRoregano
FRoriental
FRorris
FRosmanthus
FRpatchouli
FRpine forest
FL/FRpine needle
FL/FRpine scotch pine
FRpinion
 redwood
FRsandalwood
FRspikenard oil replacer
FRspruce
FRsweet grass
FL/FRtansy oil replacer
FL/FRtarragon oil replacer
FLtea black tea
 timber
FRtolu balsam
FL/FRvalerian
FRvetiver
FRwoody
FRwormseed oil replacer
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
p-t-BCH
4-tert-butyl cyclohexanol
p-tert-butyl cyclohexanol
para-tert-butyl cyclohexanol
4-(tert-butyl)cyclohexan-1-ol
4-tert-butylcyclohexan-1-ol
4-t-butylcyclohexanol
4-tert-butylcyclohexanol
p-tert-butylcyclohexanol
para-tert-butylcyclohexanol
 cyclohexanol, 4-(1,1-dimethylethyl)-
 cyclohexanol, 4-tert-butyl-
4-(1,1-dimethyl ethyl) cyclohexanol
4-(1,1-dimethylethyl)cyclohexanol
4-(2-methyl-2-propanyl)cyclohexanol
 padaryl
 patchone (IFF)
 patchone - PTBCH alcohol
 patchouli hexanol
 PTBCH
 

Articles:

PubMed:Nonivamide, a capsaicin analog, increases dopamine and serotonin release in SH-SY5Y cells via a TRPV1-independent pathway.
PubMed:The antimicrobial profile of extracts of a Phormidium-like cyanobacterium changes with phosphate levels.
PubMed:Cyclohexanol analogues are positive modulators of GABA(A) receptor currents and act as general anaesthetics in vivo.
PubMed:Inhibition of TRPV1 for the treatment of sensitive skin.
PubMed:Displacement chromatography on cyclodextrin silicas. IV. Separation of the enantiomers of ibuprofen.
PubMed:The metabolism of the isomeric tert.-butylcyclohexanones.
 
Notes:
Patchouli replacer.
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