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(±)-trans-patchouli hexanol

Chemical Structure

General Material Information

Preferred name (±)-trans-patchouli hexanol
Trivial Name trans-4-tert-Butylcyclohexanol
Short Description trans-4-tert-butylcyclohexanol
Formula C10 H20 O
CAS Number 21862-63-5
FEMA Number 4724
FDA UNII F5FZ4Y0UMG
Nikkaji Number J151.004E
Beilstein Number 1902277
MDL MFCD03940728
NMR Predictor External link
JECFA Food Flavoring 2263 trans-4-tert-butylcyclohexanol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 21862-63-5 ; TRANS-4-TERT-BUTYLCYCLOHEXANOL
Synonyms
  • trans-4-tert- butyl cyclohexanol
  • trans-p-tert- butyl cyclohexanol
  • trans-para-tert- butyl cyclohexanol
  • trans-4-tert- butylcyclohexan-1-ol
  • trans-4-tert- butylcyclohexanol
  • trans-p-tert- butylcyclohexanol
  • trans-para-tert- butylcyclohexanol
  • cyclohexanol, 4-(1,1-dimethylethyl)-, trans-
  • trans-4-(1,1-dimethyl ethyl) cyclohexanol
  • trans-4-(1,1-dimethylethyl)cyclohexanol
  • trans- padaryl
  • trans- patchone
  • pentylene glycol, 4-t-butylcyclohexanol
  • symsitive 1609 (Symrise)
  • trans-4-tert-butylcyclohexan-1-ol
  • Cyclohexanol, 4-tert-butyl-, trans-
  • trans-4-(1,1-Dimethylethyl)cyclohexanol
  • trans-4-tert-Butylcyclohexanol
  • trans-1-tert-Butylcyclohexan-4-ol
  • trans-4-tert-Butyl-1-cyclohexanol
  • trans-4-tert-Butylcyclohexyl alcohol
  • trans-p-tert-Butylcyclohexanol
  • SymSitive 1609
  • SymSitive DPG
  • FEMA 4724

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

trans-4-tert-butylcyclohexan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7391
Pubchem (sid):134971302
Publications by WIPO Patents
USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT
Publications by Leffingwell & Associates
Flavor Properties of FEMA GRAS List 25 flavor chemicals

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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2906.19.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 156.26860046387
Boiling Point 214 to 215°C @ 760 mm Hg
Flash Point TCC Value 105 °C TCC
logP (o/w) 3.09
Solubility
alcohol Yes
water, 528.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Woody
woody, patchouli
General comment At 10.00 % in dipropylene glycol. woody patchouli

Safety Information

Safety information

Preferred SDS: View
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 25
Click here to view publication 25
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 20.0000050.00000
beverages(alcoholic): 20.0000050.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 20.00000100.00000
confectionery froastings: 50.00000200.00000
egg products: --
fats / oils: 20.00000100.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 20.00000100.00000
hard candy: 20.00000100.00000
imitation dairy: --
instant coffee / tea: 20.0000050.00000
jams / jellies: --
meat products: 20.00000100.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: 20.0000050.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 20.00000100.00000
snack foods: 20.00000100.00000
soft candy: 20.00000100.00000
soups: --
sugar substitutes: 20.00000100.00000
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):21862-63-5
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:2
trans-4-tert-butylcyclohexan-1-ol
Chemidplus:0021862635