bornelone, 2226-11-1

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CODE129097 CODE129097
Product(s):
2226-11-1 bornelone 95%

Name:	(E,5Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one
CAS Number:	2226-11-1	3D/inchi
ECHA EINECS - REACH Pre-Reg:	218-757-2
FDA UNII:	Search
Nikkaji Web:	J9.682B
MDL:	MFCD00868208
XlogP3-AA:	3.30 (est)
Molecular Weight:	204.31260000
Formula:	C14 H20 O
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:cosmetic UV absorber

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:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	308.80 °C. @ 760.00 mm Hg (est)
Flash Point:	275.00 °F. TCC ( 135.00 °C. ) (est)
logP (o/w):	3.630 (est)
Soluble in:
	water, 9.627 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	uv absorbers

Suppliers:

BOC Sciences

For experimental / research use only.

bornelone 95%

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:
cosmetic UV absorber
Recommendation for bornelone usage levels up to:
	not for fragrance use.

Recommendation for bornelone 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 :6436059

National Institute of Allergy and Infectious Diseases:Data

(E,5Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one

Chemidplus:0002226111

References:

	(E,5Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	2226-11-1
Pubchem (cid):	6436059
Pubchem (sid):	135025213

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
CHEMBL:	View
KEGG (GenomeNet):	D03148
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

u.v. absorbers

Occurrence (nature, food, other):note

not found in nature

Synonyms:

	bornelone [USAN:INN] [INN] [USAN]
	bornelonum
5-(3,3-	dimethyl bicyclo(2.2.1)hept-2-ylidene)-3-penten-2-one
(E,5Z)-5-(3,3-	dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one
5-(3,3-	dimethyl-2-norbornyliden)-3-penten-2-one
(3E,5Z)-5-(3,3-	dimethylbicyclo[2.2.1]hept-2-ylidene)-3-penten-2-one
(3E,5Z)-5-(3,3-	dimethylbicyclo[2.2.1]hept-2-ylidene)pent-3-en-2-one
3-	penten-2-one, 5-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, (3E,5Z)-

Articles:

PubMed:Synthesis of dienyl ketones via palladium(II)-catalyzed direct cross-coupling reactions between simple alkenes and vinyl ketones: application to the synthesis of vitamin A1 and bornelone.

PubMed:Cosmetic allergy to the UV-absorber bornelone.

PubMed:Contact allergy to bornelone.

PubMed:Occupational contact dermatitis from cytosine arabinoside synthesis.

Notes:

found in cosmetics; causes contact dermatitis.

bornelone 5-(3,3-dimethyl-2-norbornyliden)-3-penten-2-one

Supplier Sponsors

Articles:

bornelone
5-(3,3-dimethyl-2-norbornyliden)-3-penten-2-one