orris butenone
iritone (IFF)

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  CODE105134 CODE105134
  Product(s):
  67801-38-1 Iritone

Name: (E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one CAS Number: 67801-38-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 267-158-2 FDA UNII: 67GL43KSFC Nikkaji Web: J70.251J Beilstein Number: 3243121 XlogP3-AA: 2.70 (est) Molecular Weight: 192.30160000 Formula: C13 H20 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:fragrance agents   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 Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Appearance: pale yellow clear liquid (est) Assay: 90.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.91500 to 0.92500 @ 25.00 °C. Pounds per Gallon - (est).: 7.614 to 7.697 Specific Gravity: 0.91600 to 0.92600 @ 20.00 °C. Pounds per Gallon - est.: 7.631 to 7.714 Refractive Index: 1.49200 to 1.49600 @ 20.00 °C. Boiling Point: 276.00 to 277.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est) Flash Point: > 212.00 °F. TCC ( > 100.00 °C. ) logP (o/w): 3.642 (est) Soluble in:   alcohol   water, 11.06 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral floral orris violet woody Odor Description:at 10.00 % in dipropylene glycol. velvety floral orris violet ionone woody 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. Iritone   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: oral-rat LD50 5200 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 131S, 1992. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 131S, 1992. Inhalation Toxicity: Not determined   Safety in Use Information: Category: fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice maximum skin levels for fine fragrances:   0.0070 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002) Recommendation for orris butenone usage levels up to:   0.2000 % in the fragrance concentrate. use level in formulae for use in cosmetics:   0.0450 % Dermal Systemic Exposure in Cosmetic Products:   0.0011 mg/kg/day (IFRA, 2002)   Recommendation for orris butenone 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):67801-38-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6285057 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 (E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one Chemidplus:0067801381   References:   (E)-4-(2,4,6-trimethyl-1-cyclohex-3-enyl)but-3-en-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 67801-38-1 Pubchem (cid): 6285057 Pubchem (sid): 135063665   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 ChemSpider: View   Potential Blenders and core components note For Odor aldehydic nonanal (aldehyde C-9) FL/FR animal methyl (E)-2-octenoate FL/FR citrus citronellone FR earthy amyl octanoate FL/FR floral boronia absolute FL/FR 4-tert- butyl cyclohexane carboxaldehyde FR cassie absolute FL/FR 4- cyclohexyl cyclohexanone FR dimethyl alpha-ionone FR 4- dimethyl ionone FR alpha- ionol FL/FR alpha- ionone FL/FR beta- ionone FL/FR (E)-beta- ionone FL/FR ionone mixed isomers FL/FR alpha- ionyl acetate FR iris specialty FR alpha- irone FL/FR linaloe wood oil mexico FL/FR linalool oxide FL/FR beta-iso methyl ionone FL/FR N- methyl ionone FR alpha-iso methyl ionone (50% min.) FL/FR alpha-iso methyl ionone (60% min.) FL/FR alpha-iso methyl ionone (70% min.) FL/FR alpha-iso methyl ionone (80% min.) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR muguet carbinol FL/FR bitter orangeflower concrete morocco FR orris pyridine 25% IPM FR orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR orris rhizome absolute replacer FR orris rhizome oil (iris germanica) FL/FR orris rhizome resinoid (iris pallida) FL/FR petitgrain cedrat oil FL/FR rose concrete (rosa centifolia) FR styralyl formate FL/FR tetrahydroionol FR violet flower absolute FL/FR fruity beta- ionone epoxide FL/FR tropical ionone FL/FR 2- undecanone FL/FR green (Z)-3- hexen-1-yl (Z)-3-hexenoate FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR (E,Z)-2,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadienal FL/FR 2- nonene nitrile FR 2- nonyn-1-al dimethyl acetal FR violet decenol FR violet leaf concrete FR violet nitrile FR herbal freesia heptanol FL/FR nonisyl acetate FR melon (Z)-6- nonenal FL/FR orris iso eugenyl formate FL/FR 2(1)- orris butanal FL/FR orris capronate FL/FR powdery dimethyl ionone FR alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (44-50%) FL/FR (E)-alpha- methyl ionone (50-60%) FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR tobacco veltonal (Bedoukian) FR waxy ethyl myristate FL/FR myristyl alcohol FL/FR woody diethyl dimethyl-2-cyclohexenone FR dihydro-beta-ionone FL/FR 1-(5',5',6'- trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-one FR (Z)- woody amylene FR For Flavor No flavor group found for these amyl octanoate FL/FR iso eugenyl formate FL/FR beta- ionone epoxide FL/FR ionone mixed isomers FL/FR linaloe wood oil mexico FL/FR beta-iso methyl ionone FL/FR (E)-alpha- methyl ionone (44-50%) FL/FR (E)-alpha- methyl ionone (50-60%) FL/FR alpha-iso methyl ionone (60% min.) FL/FR myristyl alcohol FL/FR 2(1)- orris butanal FL/FR styralyl formate FL/FR aldehydic aldehydic nonanal (aldehyde C-9) FL/FR apple (E,Z)-2,6- nonadien-1-ol FL/FR citrus freesia heptanol FL/FR petitgrain cedrat oil FL/FR floral alpha- ionone FL/FR alpha-iso methyl ionone (50% min.) FL/FR alpha-iso methyl ionone (70% min.) FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (80% min.) FL/FR alpha-iso methyl ionone (90% min.) FL/FR muguet carbinol FL/FR orris rhizome oil (iris germanica) FL/FR orris rhizome resinoid (iris pallida) FL/FR tropical ionone FL/FR violet flower absolute FL/FR fruity boronia absolute FL/FR methyl (E)-2-octenoate FL/FR alpha- methyl ionone FL/FR green (Z)-3- hexen-1-yl (Z)-3-hexenoate FL/FR linalool oxide FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR (E,Z)-2,6- nonadienal FL/FR (Z)-6- nonenal FL/FR orris orris capronate FL/FR spicy cassie absolute FL/FR sweet orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR waxy ethyl myristate FL/FR 2- undecanone FL/FR woody dihydro-beta-ionone FL/FR alpha- ionol FL/FR beta- ionone FL/FR (E)-beta- ionone FL/FR alpha- irone FL/FR methyl ionyl acetate FL/FR   Potential Uses: FR amber FR floral FR moss FR oriental FR violet   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3- buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)- 3- buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-, (3E)- 3- buten-2-one,4-(2,4,6-trimethyl-4-cyclohexen-1-yl)   iritone (IFF)   orris butenone (E)-4-(2,4,6- trimethyl-1-cyclohex-3-enyl)but-3-en-2-one 4-(2,4,6- trimethyl-3-cyclohexen-1-yl)-3-buten-2-one   trimethyl-3-cyclohexenyl-3-butenone 4-(2,4,6- trimethyl-4-cyclohexen-1-yl)-3-buten-2-one (3E)-4-(2,4,6- trimethylcyclohex-3-en-1-yl)but-3-en-2-one   Articles:   None found yet. Try the PubMed Search.

Notes: None found