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patchouli hexanol

Chemical Structure

General Material Information

Preferred name patchouli hexanol
Trivial Name 4-tert-Butylcyclohexanol
Short Description patchone (IFF)
Formula C10 H20 O
CAS Number 98-52-2
ECHA Number 202-676-4
FDA UNII K0H1405S9C
Nikkaji Number J23.542C
Beilstein Number 1902277
MDL MFCD00001473
Bio Activity Summary External link
NMR Predictor External link
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
  • PTBCH
  • 4-tert-butylcyclohexan-1-ol
  • 4-(1,1-Dimethylethyl)cyclohexanol
  • 4-tert-Butylcyclohexanol
  • NSC 404197
  • 4-tert-Butyl-1-cyclohexanol

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

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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
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
Melting Point 65 to 70°C @ 760 mm Hg
Boiling Point 110 to 115°C @ 15 mm Hg
Vapor Pressure 0.035 mmHg @ 25 °C
Flash Point TCC Value 105 °C TCC
logP (o/w) 3.092 est
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 528.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Woody
woody, musty, patchouli, camphoreous, minty, leathery
Luebke, William tgsc, (1993) At 100.00 %. woody musty patchouli camphor mint leather
General comment WOODY,PINE,BALSAMIC,CAMPHORACEUOS

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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