|CAS Number: ||10458-14-7||3D/inchi
|ECHA EINECS - REACH Pre-Reg:||233-944-9|
|Formula:||C10 H18 O|
|NMR Predictor:||Predict (works with chrome or firefox)|
|Mixture of diastereoisomers, approximately 25 % of each (EFFA, 2012b).|
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
|Appearance:||colorless clear liquid (est)|
|Assay:|| 96.00 to 100.00 sum of isomers
|Food Chemicals Codex Listed: ||No|
|Specific Gravity:||0.88800 to 0.89500 @ 25.00 °C.
|Pounds per Gallon - (est).: || 7.389 to 7.447
|Refractive Index:||1.44800 to 1.45300 @ 20.00 °C.
|Boiling Point:|| 207.00 °C. @ 760.00 mm Hg
|Boiling Point:|| 85.00 to 88.00 °C. @ 12.00 mm Hg
|Vapor Pressure:||0.256000 mmHg @ 25.00 °C. (est)|
|Vapor Density:||5.32 ( Air = 1 )|
|Flash Point:|| 69.00 °F. TCC ( 20.56 °C. )
|logP (o/w):|| 2.755 (est)|
|Shelf Life:|| 12.00 month(s) or longer if stored properly.|
|Storage:||store in cool, dry place in tightly sealed containers, protected from heat and light.|
| ||water, slightly|
| ||water, 180.5 mg/L @ 25 °C (est)|
|Odor Strength:medium ,|
recommend smelling in a 10.00 % solution or less
|Odor Description:at 10.00 % in dipropylene glycol. minty|
|Odor and/or flavor descriptions from others (if found).|
|Preferred SDS: View|
|European information : |
|Most important hazard(s): |
|Xn N - Harmful, Dangerous for the environment.|
R 10 - Flammable.|
R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
R 43 - May cause sensitisation by skin contact.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
| Classification of the substance or mixture|
|GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)|
| GHS Label elements, including precautionary statements|
|Oral/Parenteral Toxicity: |
|Dermal Toxicity: |
|Inhalation Toxicity: |
Safety in Use Information:
|flavor and fragrance agents|
|IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice|
|Maximised Survey-derived Daily Intakes (MSDI-EU): ||530.00 (μg/capita/day)|
|Modified Theoretical Added Maximum Daily Intake (mTAMDI): ||8700 (μg/person/day)|
|Threshold of Concern:||540 (μg/person/day)|
|Structure Class: ||II|
|Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).|
|Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.|
| ||average usage mg/kg||maximum usage mg/kg|
|Dairy products, excluding products of category 02.0 (01.0): ||-||-|
|Fats and oils, and fat emulsions (type water-in-oil) (02.0): ||-||-|
|Edible ices, including sherbet and sorbet (03.0): ||15.32000||22.99000|
|Processed fruit (04.1): ||-||-|
|Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): ||-||-|
|Confectionery (05.0): ||33.27000||52.97000|
|Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): ||-||-|
|Bakery wares (07.0): ||47.89000||68.10000|
|Meat and meat products, including poultry and game (08.0): ||-||-|
|Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): ||-||-|
|Eggs and egg products (10.0): ||-||-|
|Sweeteners, including honey (11.0): ||-||-|
|Salts, spices, soups, sauces, salads, protein products, etc. (12.0): ||-||-|
|Foodstuffs intended for particular nutritional uses (13.0): ||-||-|
|Non-alcoholic ("soft") beverages, excl. dairy products (14.1): ||4.22000||5.86000|
|Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): ||0.87000||2.59000|
|Ready-to-eat savouries (15.0): ||-||-|
|Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): ||-||-|
|European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...|
|European Food Safety Authority (EFSA) reference(s):|
|Scientific Opinion on Flavouring Group Evaluation 9, Revision 4 (FGE.09Rev4): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25|
View page or View pdf
|Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25|
View page or View pdf
|Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25|
View page or View pdf
|EPI System: View|
|NLM Developmental and Reproductive Toxicity:Search|
|EPA ACToR:Toxicology Data|
|EPA Substance Registry Services (SRS):Registry|
|Laboratory Chemical Safety Summary :6986|
|National Institute of Allergy and Infectious Diseases:Data|
Potential Blenders and core components note
Occurrence (nature, food, other):note
|5-||methyl-2-(1-methyl ethyl) cyclohexanone|
|5-||methyl-2-(isopropyl cyclo) hexanone|