sabinol
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4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (Click)
CAS Number: 471-16-9
ECHA EC Number: 207-436-2
FDA UNII: 40873MPA3A
XlogP3-AA: 1.80 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 207.00 to  209.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.056000 mm/Hg @ 25.00 °C. (est)
Flash Point: 183.00 °F. TCC ( 83.89 °C. )
logP (o/w): 2.215 (est)
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Organoleptic Properties:
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for sabinol usage levels up to:
 not for fragrance use.
Recommendation for sabinol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Chemicalize.org: Calculate predicted properties
EPA Substance Registry Services (TSCA): 471-16-9
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
Chemidplus: 0000471169
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References:
 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 564260
Pubchem (sid): 135050817
Pherobase Floral: View
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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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
None Found
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Potential Uses:
None Found
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Natural Occurrence in: note
 angelica seed oil @ 0.30%
Data  GC  GRIN Trop Picture
 cascarilla bark oil @ trace%
Data  GC  GRIN Trop Picture
 dill weed oil cuba @ 0.50%
Data  GC  GRIN Trop Picture
 juniperus spp.
GRIN Trop Picture
 laurel leaf oil turkey @ trace%
Data  GC  GRIN Trop Picture
 savin oil
GRIN Trop Picture
 tansy oil argentina @ 0.17%
Data  GC  GRIN Trop Picture
 tansy oil canada @ 0.20%
Data  GC  GRIN Trop Picture
 wormwood flower oil annus america @ 0.72%
Data  GC  GRIN Trop Picture
 wormwood leaf oil annus america @ 0.00-1.70%
Data  GC  GRIN Trop Picture
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Synonyms:
 bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1a,3a,5a)-
 bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1a,3β,5a)]-
(1S,3R,5S)-4-methylene-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-ol
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
1-isopropyl-4-methylene bicyclo(3.1.0)hexan-3-ol
 thuj-4(10)-en-3-ol
(1S,3R,5S)-(+)-4(10)-thujen-3-ol
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Articles:
PubMed: Rapid analysis of Origanum majorana L. fragrance using a nanofiber sheet, gas chromatography with mass spectrometry, and chemometrics.
PubMed: Optimization of DNA extraction from seeds and leaf tissues of Chrysanthemum (Chrysanthemum indicum) for polymerase chain reaction.
PubMed: Distribution and chemical polymorphism of the essential oils of Achillea cartilaginea growing wild in Lithuania.
PubMed: Analysis of essential oils of Artemisia absinthium L. from Lithuania by CC, GC(RI), GC-MS and 13C NMR.
PubMed: Chemical composition and antioxidant, antimicrobial, and antifungal activities of the essential oil of Achillea ligustica all.
PubMed: Platinum- and gold-catalyzed cycloisomerization reactions of hydroxylated enynes.
PubMed: alpha- and beta-Thujones (herbal medicines and food additives): synthesis and analysis of hydroxy and dehydro metabolites.
PubMed: Metabolism of monoterpenes: specificity of the dehydrogenases responsible for the biosynthesis of camphor, 3-thujone, and 3-isothujone.
PubMed: Metabolism of monoterpenes: demonstration of the hydroxylation of (+)-sabinene to (+)-cis-sabinol by an enzyme preparation from sage (Salvia officinalis) leaves.
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 489 mg/L @ 25 °C (est)
Insoluble in:
 water
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