patchouli hexanol
 
Notes:
Patchouli replacer.
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Fragrance Demo Formulas
4-tert-butylcyclohexan-1-ol (Click)
CAS Number: 98-52-2Picture of molecule
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
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NCBI: Search
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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
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Organoleptic Properties:
Odor Type: woody
Odor Strength: medium
Odor Description:
at 100.00 %. 
woody musty patchouli camphor mint leather
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: masking agents
perfuming agents
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Safety 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.
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
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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.
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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
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References:
 4-tert-butylcyclohexan-1-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 98-52-2
Pubchem (cid): 7391
Pubchem (sid): 134971302
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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: 2906.19.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alcoholic
isopropyl alcoholFL/FR
amber
 cistus ladaniferus resinFR
balsamic
dextro,laevo-borneolFL/FR
laevo-borneolFL/FR
isobornyl formateFL/FR
isobornyl methyl etherFL/FR
isobornyl propionateFL/FR
 myrrh absoluteFL/FR
camphoreous
 thujyl alcoholFL/FR
citrus
 ocimene quintoxideFL/FR
earthy
2-ethyl fencholFL/FR
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 barosma betulina leaf oilFL/FR
1,4-cineoleFL/FR
 dimethyl cyclormol (IFF)FR
 geranic oxideFL/FR
 herbal dioxaneFR
 herbal undecanolFR
 lavandin concreteFL/FR
 methyl cyclogeranateFR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 pine hexanolFR
 pinocarveolFL/FR
 piperitoneFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
leathery
 leather cyclohexanolFR
mentholic
 peppermint cyclohexanoneFL/FR
musty
ketoisophoroneFL/FR
spicy
 carvacrolFL/FR
 cassia bark oleoresinFL/FR
white sassafras oilFL/FR
laevo-verbenoneFL/FR
thujonic
 armoise oilFR
 cedarleaf oil terpenelessFR
woody
para-tert-butyl cyclohexanoneFR
2-tert-butyl cyclohexanoneFR
alpha-cedrene epoxideFR
 herbal norbornaneFR
 hinoki root oilFR
para-menth-3-en-1-olFL/FR
delta-methyl iononeFL/FR
 patchouli ethanolFR
 patchouli oil chinaFL/FR
 pinacolFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 
For Flavor
 
No flavor group found for these
dextro,laevo-borneolFL/FR
isobornyl methyl etherFL/FR
para-menth-3-en-1-olFL/FR
delta-methyl iononeFL/FR
white sassafras oilFL/FR
laevo-verbenoneFL/FR
 thujyl alcoholFL/FR
alcoholic
isopropyl alcoholFL/FR
balsamic
isobornyl propionateFL/FR
 myrrh absoluteFL/FR
camphoreous
laevo-borneolFL/FR
 geranic oxideFL/FR
 pinocarveolFL/FR
citrus
ketoisophoroneFL/FR
cooling
1,4-cineoleFL/FR
earthy
2-ethyl fencholFL/FR
green
 ocimene quintoxideFL/FR
herbal
 barosma betulina leaf oilFL/FR
 lavandin concreteFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 rosemary absoluteFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
mentholic
 peppermint cyclohexanoneFL/FR
minty
 piperitoneFL/FR
spicy
 carvacrolFL/FR
 cassia bark oleoresinFL/FR
woody
isobornyl formateFL/FR
 patchouli oil chinaFL/FR
 
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Potential Uses:
 acacia cassie farnesianaFR
 amberFR
 ambergrisFR
 ambreine 
 amyrisFL/FR
 angelicaFL/FR
 ash mountain ash 
 balsamFR
 bark 
 bayberryFR
 beech wood tar 
 benzoin 
 bergamotFR
 birch tarFL/FR
 bois de rose rosewoodFR
 boroniaFR
 boxwood 
 buchuFL/FR
 cabreuvaFR
 cadeFR
 calamusFR
 camphorFL/FR
 cardamomFL/FR
 cascarillaFL/FR
 cedarFR
 cedar forestFR
 cedarwoodFR
 cedarwood atlasFR
 celeryFL/FR
 cigar box 
 cistusFL/FR
 citronellaFL/FR
 clary sageFL/FR
 costusFL
 cypressFR
 dogwoodFR
 elemiFL/FR
 estragon tarragonFL/FR
 fern fougereFR
 fir needle pine needleFL/FR
 forestFR
 forest pine forestFR
 frankincense olibanumFR
 galangalFL/FR
 galbanumFL/FR
 gingerFR
 gingergrassFR
 grass sweetFR
 guaiacwoodFL/FR
 gurjunFR
 hay new mown hay foin coupeFR
 heatherFR
 herbalFR
 hinokiFR
 hyssopFL/FR
 iris blossom 
 juniperFR
 juniper berryFR
 labdanumFL/FR
 maceFR
 majaFR
 mimosaFR
 mintFR
 oakwood 
 opoponaxFL/FR
 orange bitterFL/FR
 oreganoFL/FR
 orientalFR
 orris irisFR
 osmanthusFL/FR
 patchouliFR
 pine needle dwarfFL/FR
 pine needle scotchFL/FR
 pinon coneFR
 redwood 
 sandalwoodFR
 spikenardFL/FR
 spruceFL/FR
 tansyFR
 tea blackFL
 timber 
 tolu balsamFL/FR
 valerianFL/FR
 vetiverFR
 woodyFR
 wormseed chenopodiumFL
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Occurrence (nature, food, other): note
 not found in nature
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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
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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.
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