Preferred name | 2-cyclohexyl cyclohexanone |
Trivial Name | 2-Cyclohexylcyclohexanone |
Short Description | bicyclohexanone P (IFF) |
Formula | C12 H20 O |
CAS Number | 90-42-6 |
Deleted CAS Number | 112684-84-1 |
ECHA Number | 201-991-4 |
FDA UNII | B3QU3533W8 |
Nikkaji Number | J41.835H |
Beilstein Number | 1865785 |
MDL | MFCD00013795 |
NMR Predictor | External link |
Synonyms |
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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 |
CHEMBL: | View |
HMDB (The Human Metabolome Database): | Search |
Export Tariff Code: | 2914.29.5000 |
ChemSpider: | View |
Material listed in food chemical codex | No |
Molecular weight | 180.2906036377 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 8.08 to 8.13 |
Refractive Index | 1.485 to 1.49 @ 20 °C |
Boiling Point | 264 to 265°C @ 760 mm Hg |
Acid Value | 5 max KOH/g |
Vapor Pressure | 0.01 mmHg @ 25 °C |
Flash Point TCC Value | 93.33 °C TCC |
logP (o/w) | 3.81 |
Solubility | |
alcohol | Yes |
water, 30.41 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Herbal | |
cyclamen, sweet, herbal, cumin, minty, woody, orris, ozone | |
Odor strength | medium |
Substantivity | 44 hour(s) at 100.00 % |
Luebke, William tgsc, (1988) | At 100.00 %. cyclamen sweet herbal cumin mint woody orris ozone |
Applications | |
Odor purposes | Floral , Herbal , Lily , Orris , Woody |
Other purposes | Clean , Ozone |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
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 5000 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 7800 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974. | |
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 | |||
Recommendation for 2-cyclohexyl cyclohexanone usage levels up to: | |||
8.0000 % in the fragrance concentrate. | |||
Recommendation for 2-cyclohexyl cyclohexanone 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):90-42-6 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :7016 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:2 |
2-cyclohexylcyclohexan-1-one |
Chemidplus:0000090426 |
RTECS:DT7400000 for cas# 90-42-6 |