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isothujol
bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-

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Name:4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CAS Number: 513-23-5Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J133.513H
XlogP3-AA:2.60 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 209.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.047000 mmHg @ 25.00 °C. (est)
Flash Point: 182.00 °F. TCC ( 83.33 °C. )
logP (o/w): 2.506 (est)
Soluble in:
 alcohol
 water, 472.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
SABINENE 98+% 95%
 
Safety Information:
 
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:
natural substances and extractives
Recommendation for isothujol usage levels up to:
 not for fragrance use.
 
Recommendation for isothujol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10550
National Institute of Allergy and Infectious Diseases:Data
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
Chemidplus:0000513235
 
References:
 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10550
Pubchem (sid):134978380
Pherobase:View
 
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
HMDB (The Human Metabolome Database):Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 sage oil reunion @ trace%
Data GC Search Trop Picture
 
Synonyms:
 bicyclo(3.1.0)hexan-3-ol, 4-methyl-1-(1-methylethyl)-
 bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-
4-methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-ol
4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
4-methyl-1-isopropylbicyclo(3.1.0)hexan-3-ol
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-ol
 thujan-3-ol
3-thujanol
neoisothujyl alcohol
 
 
Notes:
None found
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