EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

alpha-calacorene
1,2-dihydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene

Supplier Sponsors

Name:4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
CAS Number: 21391-99-1Picture of molecule3D/inchi
XlogP3-AA:4.40 (est)
Molecular Weight:200.32440000
Formula:C15 H20
NMR Predictor:Predict (works with chrome 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:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 289.00 to 290.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 259.00 °F. TCC ( 126.11 °C. )
logP (o/w): 6.218 (est)
Soluble in:
 alcohol
 water, 0.2376 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. woody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Naphthalene,1,2-dihydro-4,7-dimethyl-1-(1-methylethyl)-, (1S)-
 
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 alpha-calacorene usage levels up to:
 not for fragrance use.
 
Recommendation for alpha-calacorene 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 :528708
National Institute of Allergy and Infectious Diseases:Data
4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
 
References:
 4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):528708
Pubchem (sid):11079267
Flavornet:21391-99-1
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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB36453
FooDB:FDB015342
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 baccharis coridifolia oil argentina @ 0.20%
Data GC Search Trop Picture
 calamus leaf oil @ 0.30%
Data GC Search Trop Picture
 calamus rhizome oil @ 1.30%
Data GC Search Trop Picture
 calamus root oil @ 0.68%
Data GC Search Trop Picture
 cascarilla bark oil @ 0.96%
Data GC Search Trop Picture
 cedarwood oil lebanon @ >0.10%
Data GC Search Trop Picture
 cedrela wood oil @ 0.12%
Data GC Search Trop Picture
 cistus oil @ 0.6%
Data GC Search Trop Picture
 clove bud
Search Trop Picture
 clove fruit
Search Trop Picture
 clove leaf
Search Trop Picture
 geranium rose-scented oil (pelargonium spp.) cuba @ 0.30%
Data GC Search Trop Picture
 guava fruit oil reunion @ 0.30%
Data GC Search Trop Picture
 guava leaf oil cuba @ 0.10%
Data GC Search Trop Picture
 hop
Search Trop Picture
 labdanum oil @ 0.31%
Data GC Search Trop Picture
 laurel leaf oil turkey @ 0.10%
Data GC Search Trop Picture
 mangrove bark red oil cuba @ 0.10%
Data GC Search Trop Picture
 pennyroyal oil cuba @ 0.09%
Data GC Search Trop Picture
 pepper tree berry oil @ 0.26%
Data GC Search Trop Picture
 phoebe oil brazil @ 1.06%
Data GC Search Trop Picture
 pimenta leaf oil @ 1.23%
Data GC Search Trop Picture
 pine
Search PMC Picture
 pteronia oil @ 0.70%
Data GC Search Trop Picture
 rosemary plant
Search Trop Picture
 salvia plebeia oil @ 2.75%
Data GC Search Trop Picture
 salvia sclarea seed oil tunisia @ 0.10%
Data GC Search Trop Picture
 sugandha kokila berry oil @ 0.10%
Data GC Search Trop Picture
 vetiver
Search Trop Picture
 
Synonyms:
.alpha.-calacorene
a-calacorene
1,2-dihydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene
3,4-dihydrocadalene
4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
 

Articles:

PubMed:Essential oils from Schinus species of northwest Argentina: Composition and antifungal activity.
PubMed:Essential oils and crude extracts from Chrysanthemum trifurcatum leaves, stems and roots: chemical composition and antibacterial activity.
PubMed:Characterization of novel single-variety oxygenated sesquiterpenoid hop oil fractions via headspace solid-phase microextraction and gas chromatography-mass spectrometry/olfactometry.
PubMed:Chemical composition of the essential oil of Lepidagathis fasciculata from Bondla forest of Goa, India.
PubMed:Optimisation of supercritical fluid extraction of essential oil components of Diplotaenia cachrydifolia: Box-Behnken design.
PubMed:Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum.
PubMed:The absolute configuration of (-)-3-hydroxy-alpha-calacorene.
PubMed:Antiinflammatory constituents from Heterotheca inuloides.
 
Notes:
Constit. of hop, sweet flag, Juniperus and other oils
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