Articles:
bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (9CI)
Notes:
None found
| CAS Number: | 24545-81-1 |  3D/inchi
|
| Nikkaji Web: | J99.982B | |
| Beilstein Number: | 2042730 | |
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 150.22078000 | |
| Formula: | C10 H14 O | |
| NMR Predictor: | Predict (works with chrome 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:
| Assay: | 92.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 220.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.159000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w): | 2.063 (est) |
| Soluble in: | |
| alcohol | |
| water, 279 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | minty pungent |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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-mouse LD50 1450 mg/kg Journal of Agricultural and Food Chemistry. Vol. 22, Pg. 777, 1974. | |
| Dermal Toxicity: | |
|
subcutaneous-mouse LD50 965 mg/kg Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for umbellulone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for umbellulone 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 : | 91195 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one | |
| Chemidplus: | 0024545811 |
References:
| 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 91195 |
| Pubchem (sid): | 135048111 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| celery seed oil egypt @ 0.15% Data GC Search Trop Picture | |
| cypress cone oil egypt @ 0.1% Data GC Search Trop Picture | |
| kewda oil @ 0.07-0.08% Data GC Search Trop Picture | |
| laurel leaf oil turkey @ trace% Data GC Search Trop Picture | |
| pennyroyal oil cuba @ 0.74% Data GC Search Trop Picture | |
| tansy flower oil canada @ 1.86% Data GC Search Trop Picture | |
| tansy oil argentina @ trace% Data GC Search Trop Picture |
Synonyms:
| bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (9CI) | |
| bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1- (1-methylethyl)- | |
| bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- | |
| 4- | methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hex-3-en-2-one |
| 4- | methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-3-en-2-one |
| 4- | methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one |
| 3- | thujen-2-one |
| umbellulon |