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verbenyl acetate
bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate

Supplier Sponsors

Name:(4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
CAS Number: 33522-69-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:251-559-4
Nikkaji Web:J21.516C
XlogP3-AA:2.10 (est)
Molecular Weight:194.27386000
Formula:C12 H18 O2
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:
Food Chemicals Codex Listed: No
Boiling Point: 232.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.060000 mm/Hg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 3.215 (est)
Soluble in:
 water, 30.19 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:spicy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Synerzine
Verbenyl Acetate
 
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 verbenyl acetate usage levels up to:
 not for fragrance use.
 
Recommendation for verbenyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118088
National Institute of Allergy and Infectious Diseases:Data
(4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
Chemidplus:0033522699
 
References:
 (4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):118088
Pubchem (sid):135073927
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB006038
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
 angelica root oil @ 0.39%
Data GC Search Trop Picture
 ferula cupularis stem oil @ 5.20%
Data GC Search Trop Picture
 water mint shoot
Search Trop Picture
 
Synonyms:
 bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate
4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-yl acetate
(4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
4,6,6-trimethylbicyclo(3.1.1.)hept-3-en-2-yl acetate
4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate
 

Articles:

PubMed:Comparative evaluation of antioxidant and insecticidal properties of essential oils from five Moroccan aromatic herbs.
PubMed:Chemical composition and anticandidal properties of the essential oil isolated from aerial parts of Cotula cinerea: a rare and threatened medicinal plant in Morocco.
PubMed:[Characterization of chemical components of essential oil from flowers of Chrysanthemum morifolium produced in Anhui province].
PubMed:Biologically active flavonoids and terpenoids from Egletes viscosa.
PubMed:Structural significance of the geminal-dimethyl group of (+)-trans-verbenyl acetate, sex pheromone mimic of the American cockroach.
PubMed:Sex pheromonal activity of (+)-bornyl acetate and related compounds to the American cockroach.
PubMed:Structural significance of the alkyl substituent at the C-4 of (+)-trans-verbenyl acetate in sex pheromonal activity of the American cockroach.
PubMed:Olfactory receptor responses of the nymphal American cockroach to sex pheromones and their mimics.
PubMed:Sex pheromonal activity of (+)-trans-verbenyl acetate and related compounds to the american cockroach,Periplaneta americana L.
 
Notes:
None found
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