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

isocaryophyllene
(-)-(Z)-trimethyl-8-methylene bicyclo-4-undecene

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Name:(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CAS Number: 118-65-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-267-6
FDA UNII: NRY8I0KNIR
Nikkaji Web:J5.303A
MDL:MFCD00135860
XlogP3-AA:4.40 (est)
Molecular Weight:204.35628000
Formula:C15 H24
BioActivity Summary:listing
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:
Appearance:pale yellow clear liquid to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 266.00 to 268.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.013000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 6.416 (est)
Soluble in:
 alcohol
 water, 0.05011 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: woody
woody spicy
Odor Description:at 100.00 %. woody spicy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
(-)-isoCaryophyllene
 
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 isocaryophyllene usage levels up to:
 not for fragrance use.
 
Recommendation for isocaryophyllene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):118-65-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5281522
National Institute of Allergy and Infectious Diseases:Data
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Chemidplus:0000118650
 
References:
 (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:118-65-0
Pubchem (cid):5281522
Pubchem (sid):135024438
Flavornet:118-65-0
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
CHEMBL:View
KEGG (GenomeNet):C09691
HMDB (The Human Metabolome Database):HMDB61779
FooDB:FDB015737
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FRbalsam
FRclove
FRginger
FRheather
FRherbal
FRspice
 
Occurrence (nature, food, other):note
 allspice plant
Search Trop Picture
 angelica seed oil CO2 extract @ 2.00%
Data GC Search Trop Picture
 anise plant
Search Trop Picture
 anise seed oil star china @ 0.31%
Data GC Search Trop Picture
 baccharis coridifolia oil argentina @ 34.30%
Data GC Search Trop Picture
 basil plant
Search Trop Picture
 calamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
Data GC Search Trop Picture
 chamomile sweet false chamomile plant
Search Trop Picture
 cinnamon ceylon cinnamon bark
Search Trop Picture
 clove plant
Search Trop Picture
 croton flavens l. (welensali) leaf oil curacao @ 9.30%
Data GC Search Trop Picture
 cumin seed oil
Search Trop Picture
 hinoki leaf oil @ 1.65%
Data GC Search Trop Picture
 hinoki root oil @ 0.55%
Data GC Search Trop Picture
 hinoki wood oil @ 0.12%
Data GC Search Trop Picture
 hyssop oil CO2 extract @ 2.5%
Data GC Search Trop Picture
 lemon verbena oil morocco @ trace%
Data GC Search Trop Picture
 lime oil distilled peru @ trace%
Data GC Search Trop Picture
 orthodon dianthera maxim. oil vietnam @ 0.80%
Data GC Search Trop Picture
 pepper black pepper fruit
Search Trop Picture
 pepper black pepper fruit oil
Search Trop Picture
 petitgrain combava oil @ trace%
Data GC Search Picture
 rosemary
Search Trop Picture
 sage oil spain @ 0.0-0.8%
Data GC Search Trop Picture
 sage plant
Search Trop Picture
 salvia plebeia oil @ 0.91%
Data GC Search Trop Picture
 santolina oil @ 0.18%
Data GC Search Trop Picture
 spearmint oil
Search Trop Picture
 tagete oil zambia @ 2.20%
Data GC Search Trop Picture
 turmeric root oil hydrodistilled @ 0.55%
Data GC Search Trop Picture
 zingiber officinale root oil china @ 13.12%
Data GC Search Trop Picture
 
Synonyms:
 bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-
 bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)-
(-)-(Z)-beta-caryophyllene
(-)-isocaryophyllene
gamma-caryophyllene
isocaryophyllene
(1R,9S)-8-methylen-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
(-)-(Z)-trimethyl-8-methylene bicyclo-4-undecene
(1R-(1R*,4Z,9S*))-4,11,11-trimethyl-8-methylene bicyclo(7.2.0)undec-4-ene
(1R,4Z,9S)-4,11,11-trimethyl-8-methylene bicyclo(7.2.0)undec-4-ene
(1R-(1R*,4Z,9S*))-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
(1R,4Z,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
[1R-(1R*,4Z,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
 

Articles:

US Patents:3,965,189 - 1-Acetyl-11-methylene-4,7,7-trimethyl-cycloundeca-4,8-diene
PubMed:Repellent Activities of Essential Oils of Some Plants Used Traditionally to Control the Brown Ear Tick, Rhipicephalus appendiculatus.
US Patents:3,966,819 - Sesquiterpenic derivatives as odor- and taste modifying agents
PubMed:The Strained Sesquiterpene β-Caryophyllene as a Probe for the Solvent-Assisted Epoxidation Mechanism.
PubMed:Hepatoprotection of sesquiterpenoids: a quantitative structure-activity relationship (QSAR) approach.
PubMed:Antibacterial activities of essential oils extracted from leaves of Murraya koenigii by solvent-free microwave extraction and hydro-distillation.
PubMed:Chemical composition and resistance-modifying effect of the essential oil of Lantana camara Linn.
PubMed:Fingerprint of selected Salvia species by HS-GC-MS analysis of their volatile fraction.
PubMed:Reaction mechanism of direct episulfidation of caryophyllene and humulene.
PubMed:Potentiating effect of beta-caryophyllene on anticancer activity of alpha-humulene, isocaryophyllene and paclitaxel.
PubMed:Caryophyllene-rich rhizome oil of Zingiber nimmonii from South India: Chemical characterization and antimicrobial activity.
PubMed:Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae).
PubMed:Composition and antibacterial activity of essential oil of Lantana achyranthifolia Desf. (Verbenaceae).
PubMed:Betulenols from Betula species.
PubMed:Production of volatile sesquiterpenes by Fusarium sambucinum strains with different abilities to synthesize trichothecenes.
 
Notes:
Widespread in plants (Jasminum, Origanum and Pimpinella spp.)
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