bergamot acetoacetate

General Material Information

Preferred name	bergamot acetoacetate
Trivial Name	Terpenes and Terpenoids, turpentine-oil, myrcene fraction, hydroxy, acetates
Short Description	neobergamate
Formula	C12 H20 O2
CAS Number	69103-01-1
ECHA Number	273-868-3
FDA UNII	4BS9397SE5
Nikkaji Number	J42.533H
Beilstein Number	1768049
xLogP3-AA	3.60 (est)
Bio Activity Summary	External link
NMR Predictor	External link
Synonyms	acetate de pseudomyrcenyle, normal acetic acid esters with turpentine oil myrcene fraction terpene alcohols acetic acid, 2-methyl-6-methylene-7-octen-2-yl esters from turpentine oil myrcene fraction terpene alcohols acetic acid, esters with turpentine-oil myrcene fraction terpene alcs. acetic acid, myrcenyl esters from turpentine oil myrcene fraction terpene alcohols 2-acetoxy-2-methyl-6-methylene-7-octene from turpentine oil myrcene fraction terpene alcohols 2-methyl-6-methylene-7-octen-2-yl acetate from turpentine oil myrcene fraction terpene alcohols (2-methyl-6-methylideneoct-7-en-2-yl) acetate from turpentine oil myrcene fraction terpene alcohols 3-methylene-7-methyl-1-octen-7-yl acetate from turpentine oil myrcene fraction terpene alcohols neobergamate neobergamate forte 7-octen-2-ol, 2-methyl-6-methylene-, acetate from turpentine oil myrcene fraction terpene alcohols terpene alcohols acetates terpenes and terpenoids, turpentine-oil, myrcene fraction, hydroxy, acetates terpenes and terpenoids, turpentine-oil, myrcene fraction, hydroxy,acetates (2-methyl-6-methylideneoct-7-en-2-yl) acetate

(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
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2915.39.9050
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	196.28979492188
Specific gravity	@ 20 °C
Pounds per Gallon	7.698 to 7.814
Refractive Index	1.462 to 1.466 @ 20 °C
Boiling Point	257 to 258°C @ 760 mm Hg
Vapor Pressure	0.015 mmHg @ 25 °C
Flash Point TCC Value	90.56 °C TCC
logP (o/w)	3.765 est
Solubility
alcohol	Yes
water, 4.409 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Citrus
fresh, herbal, bergamot, cortex, floral, buchu
Odor strength	medium
Substantivity	12 hour(s) at 100.00 %
Luebke, William tgsc, (1987)	At 100.00 %. fresh herbal bergamot stem floral buchu

Applications	fragrance agents
Odor purposes	Bergamot, Chypre, Fern, Fresh and clean, Herbal, Lavender, Tobacco
Cosmetic purposes	Perfuming agents


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

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for bergamot acetoacetate usage levels up to:
	12.0000 % in the fragrance concentrate.

Recommendation for bergamot acetoacetate flavor usage levels up to:
	not for flavor use.