verbenyl acetate, 33522-69-9

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CODE148704 CODE148704
Product(s):
W1854 Verbenyl Acetate

Name:	(4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
CAS Number:	33522-69-9	3D/inchi
ECHA EINECS - REACH Pre-Reg:	251-559-4
FDA UNII:	Search
Nikkaji Web:	J21.516C
XlogP3-AA:	2.10 (est)
Molecular Weight:	194.27386000
Formula:	C12 H18 O2
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:

Food Chemicals Codex Listed:	No
Boiling Point:	232.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.060000 mmHg @ 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 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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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 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
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

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

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Articles:

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