| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 88-41-5 |
| ECHA EC Number: | 201-828-7 |
| FDA UNII: | 364FV60913 |
| Category: | fragrance agents, solvents |
| IUPAC Name: | green acetate |
| InChI : | InChI=1/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3 |
| Std.InChI: | InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3 |
| InChIKey : | FINOAUDUYKVGDS-UHFFFAOYAK |
| Std.InChIKey: | FINOAUDUYKVGDS-UHFFFAOYSA-N |
| SMILES : | CC(=O)OC1CCCCC1C(C)(C)C |
| MDL: | MFCD00027397 |
| Molar Refractivity : | 57.38 ± 0.4 cm3 (est) |
| Parachor : | 498.8 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.450 ± 0.03 (est) |
| Surface Tension : | 30.0 ± 5.0 dyne/cm (est) |
| Density : | 0.93 ± 0.1 g/cm3 (est) |
| Polarizability : | 22.74 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Appearance: | colorless to pale yellow liquid to solid (est) |
| Assay: | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93700 to 0.94500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.797 to 7.863 |
| Specific Gravity: | 0.93800 to 0.94600 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.814 to 7.881 |
| Refractive Index: | 1.45000 to 1.45500 @ 20.00 °C. |
| Boiling Point: | 221.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 98.00 °C. @ 1.50 mm Hg |
| Congealing Point: | 21.00 °C. |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.103000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 194.00 °F. TCC ( 90.00 °C. ) |
| logP (o/w): | 4.230 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| paraffin oil | |
| water, 7.462 mg/L @ 25 °C (est) | |
| Stability: | |
| acid cleaner | |
| antiperspirant | |
| bleach | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| hard surface cleaner | |
| liquid detergent | |
| shampoo | |
| soap | |
| stable to acids and alkalis | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | fragrance perfuming agents solvents |
| European information : | |
| Most important hazard(s): | |
| N - Dangerous for the environment. | |
| R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4600 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 13S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 13S, 1992. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| fragrance agents, solvents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for green acetate usage levels up to: | |||
| 15.0000 % in the fragrance concentrate. | |||
| Recommendation for green acetate 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):88-41-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62334 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:1 |
| (2-tert-butylcyclohexyl) acetate |
| Chemidplus:0000088415 |
| Leffingwell: | Chirality or Article |
| (2-tert-butylcyclohexyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 88-41-5 |
| Pubchem (cid): | 62334 |
| Pubchem (sid): | 135019729 |
| (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: | 2915.39.9050 |
| ChemSpider: | View |
| not found in nature |
| acetic acid 2-t-butylcyclohexyl ester | |
| 1- | acetoxy-2-tert-butylcyclohexane |
| agrumex HC (Symrise) | |
| argumex HC (Symrise) | |
| aurumex low cis | |
| o-t- | bcha |
| o-tert- | bcha |
| ortho tertiary- | butyl cyclo hexanyl acetate |
| ortho-tertiary- | butyl cyclo hexyl acetate |
| 2-tert- | butyl cyclohexanol acetate |
| ortho-tertiary- | butyl cyclohexanyl acetate |
| 2-tert- | butyl cyclohexyl acetate |
| ortho-tert- | butyl cyclohexyl acetate |
| butyl cyclohexyl acetate ortho | |
| 2-tert- | butylcyclohexanol acetate |
| o-tert- | butylcyclohexanyl acetate |
| 2-t- | butylcyclohexyl acetate |
| 2-tert- | butylcyclohexyl acetate |
| o-t- | butylcyclohexyl acetate |
| o-tert- | butylcyclohexyl acetate |
| (2-tert- | butylcyclohexyl) acetate |
| O-tert- | butylcyclohexylacetate |
| cyclohexanol, 2-(1,1-dimethylethyl)-, acetate | |
| 2-(1,1- | dimethyl ethyl) cyclohexanol acetate |
| 2-(1,1- | dimethyl ethyl) cyclohexyl ethanoate |
| 2-(1,1- | dimethylethyl)cyclohexanol acetate |
| 2-(1,1- | dimethylethyl)cyclohexyl acetate |
| 2-(1,1- | dimethylethyl)cyclohexyl ethanoate |
| green acetate | |
| grumex | |
| menthonate | |
| O.T.B.C.H.A. | |
| ommelione supra (Grau) | |
| ortholate | |
| OTBCH acetate | |
| OTBCHA | |
| polarvert | |
| pommelione supra | |
| verdox (IFF) | |
| verdox HC (IFF) | |
| ylanat ortho |
| None found yet. Try the PubMed Search. |
