Preferred name | 4-dimethyl ionone |
Trivial Name | 4-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one |
Short Description | 5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-4-penten-3-one |
Formula | C15 H24 O |
CAS Number | 68459-99-4 |
ECHA Number | 270-623-2 |
FDA UNII | Search |
Nikkaji Number | J310.558J |
xLogP3-AA | 4.00 (est) |
NMR Predictor | External link |
Synonyms |
|
Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
(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 |
Export Tariff Code: | 2914.23.0000 |
ChemSpider: | View |
Material listed in food chemical codex | No |
Molecular weight | 220.35548400879 |
Boiling Point | 296 to 298°C @ 760 mm Hg |
Vapor Pressure | 0.001 mmHg @ 25 °C |
Flash Point TCC Value | 128.8 °C TCC |
logP (o/w) | 4.523 est |
Solubility | |
alcohol | Yes |
water, 1.236 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Floral | |
sweet, floral, violet, woody | |
Odor strength | medium |
Substantivity | 128 hour(s) at 100.00 % |
General comment | At 100.00 %. sweet floral violet woody |
Applications | |
Odor purposes | Violet , Woody |
Cosmetic purposes | Perfuming agents |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
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 |
Category: | |||
fragrance agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
IFRA Other Specification: | |||
Recommendation for 4-dimethyl ionone usage levels up to: | |||
4.0000 % in the fragrance concentrate. | |||
Recommendation for 4-dimethyl ionone flavor usage levels up to: | |||
not for flavor use. |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):68459-99-4 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :5376281 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:2 |
(E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
Chemidplus:0068459994 |