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

1,3-butadiene, 2-(4,8,12-trimethyltridecyl)-

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CAS Number: 504-96-1Picture of molecule3D/inchi
Nikkaji Web:J11.818D
XlogP3-AA:9.60 (est)
Molecular Weight:278.52286000
Formula:C20 H38
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
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 344.00 to 345.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000130 mmHg @ 25.00 °C. (est)
Flash Point: 320.00 °F. TCC ( 160.20 °C. ) (est)
logP (o/w): 9.522 (est)
Soluble in:
 water, 2.344e-005 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Neophytadiene 95%
Odor: characteristic
Use: Enzyme inhibitor. This product contains up 15% hexanes and up to 5% of the analogous dimer by NMR.
Santa Cruz Biotechnology
For experimental / research use only.
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
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:
natural substances and extractives
Recommendation for neophytadiene usage levels up to:
 not for fragrance use.
Recommendation for neophytadiene 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 :10446
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10446
Pubchem (sid):134976103
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 ailanthus altissima
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 dill leaf
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 herniaria incana lam. oil greece @ 2.20%
Data GC Search Trop Picture
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 salvia lavandulifolia vahl. leaf oil @ 0.10%
Data GC Search Trop Picture
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1,3-butadiene, 2-(4,8,12-trimethyltridecyl)-
1-hexadecene, 7,11,15-trimethyl-3-methylene-
2-(4,8,12-trimethyl tridecyl) buta-1,3-diene


PubMed:Optimization of a sample preparation method for multiresidue analysis of pesticides in tobacco by single and multi-dimensional gas chromatography-mass spectrometry.
PubMed:Chemical Constituents and Antimicrobial Activity of Indian Green Leafy Vegetable Cardiospermum halicacabum.
PubMed:Isolation of the volatile fraction from Apium graveolens L. (Apiaceae) by supercritical carbon dioxide extraction and hydrodistillation: chemical composition and antifungal activity.
PubMed:Volatile organic compounds from Centaurium erythraea Rafn (Croatia) and the antimicrobial potential of its essential oil.
PubMed:Chemical profile and biological potential of non-polar fractions from Centroceras clavulatum (C. Agardh) Montagne (Ceramiales, Rhodophyta).
PubMed:[Chemical composition of essential oils from leaves of Helicteres guazumifolia (Sterculiaceae), Piper tuberculatum (Piperaceae), Scoparia dulcis (Arecaceae) and Solanum subinerme (Solanaceae) from Sucre, Venezuela].
PubMed:Phytoremediation of ethylene glycol and its derivatives by the burhead plant (Echinodorus cordifolius (L.)): effect of molecular size.
PubMed:Chemical composition, toxicity and larvicidal activity of the essential oil from the whole plant of Acalypha segetalis from south-west Nigeria.
PubMed:Significance of the nonvolatile minor compounds of the neutral lipid fraction as markers of the origin of dairy products.
PubMed:Trypanocidal, leishmanicidal and antifungal potential from marine red alga Bostrychia tenella J. Agardh (Rhodomelaceae, Ceramiales).
PubMed:Antiplasmodial activity of isolated compounds from Carpesium divaricatum.
PubMed:Screening for bioactive compounds from algae.
PubMed:Aroma-active compounds of Elatostema laetevirens and Elatostema umbellatum var. majus.
PubMed:Subcutaneous and intramuscular lipid traits as tools for classifying Iberian pigs as a function of their feeding background.
PubMed:Antimicrobial activity of sub- and supercritical CO2 extracts of the green alga Dunaliella salina.
PubMed:Analysis of volatile compounds in beef fat by dynamic-headspace solid-phase microextraction combined with gas chromatography-mass spectrometry.
PubMed:Pressurized fluid extraction of bioactive compounds from Phormidium species.
PubMed:Preliminary study of the anti-inflammatory activity of hexane extract and fractions from Bursera simaruba (Linneo) Sarg. (Burseraceae) leaves.
PubMed:Dunaliella salina microalga pressurized liquid extracts as potential antimicrobials.
PubMed:Characterization and quantification of the hydrocarbons fraction of the subcutaneous fresh fat of Iberian pig by off-line combination of high performance liquid chromatography and gas chromatography.
PubMed:Chemical composition of corn leaf essential oils and their role in the oviposition behavior of Sesamia nonagrioides females.
PubMed:Study of the branched hydrocarbon fraction of intramuscular lipids from Iberian dry-cured ham.
PubMed:Analysis of free and bound volatiles by gas chromatography and gas chromatography-mass spectrometry in uncased and cased tobaccos.
PubMed:Study of the branched hydrocarbon fraction of intramuscular lipids from Iberian fresh ham.
PubMed:Fat-borne volatiles and sheepmeat odour.
PubMed:Terpene hydrocarbons in Pimpinella anisum L.
PubMed:Gas chromatographic determination of neuphytadiene as a measure of the terpenoid contribution to experimental tobacco smoke carcinogenesis.
None found
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