Articles:
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iritone (IFF)
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 67801-38-1 Iritone
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| 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 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 | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| 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 | ||
| 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
Potential Uses:
| amber | FR | |
| floral | FR | |
| moss | FR | |
| oriental | FR | |
| violet | FR |
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 |