Articles:
| None found yet. Try the PubMed Search. |
Notes:
Enrichens the quality of fragrances.
| (4-tert-butylcyclohexyl) acetate (Click)
IUPAC Name: (4-tert-butylcyclohexyl) acetate
Std.InChI: InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChI: InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
Std.InChIKey: MBZRJSQZCBXRGK-UHFFFAOYSA-N
InChIKey: MBZRJSQZCBXRGK-UHFFFAOYAF
SMILES: CC(=O)OC1CCC(CC1)C(C)(C)C
| ||
| CAS Number: | 32210-23-4 | 
|
| Other: | 104-05-2 | |
| ECHA EINECS - REACH Pre-Reg: | 250-954-9 | |
| FDA UNII: | ATR4EHD017 | |
| Nikkaji Web: | J55.311E | |
| MDL: | MFCD00019354 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | trans-woody acetate | |
| cis-woody acetate | ||
Category: fragrance agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| IBM Patents: | Obtain Obtain |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93400 to 0.93900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.772 to 7.813 |
| Specific Gravity: | 0.93300 to 0.93700 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.773 to 7.806 |
| Refractive Index: | 1.45000 to 1.45400 @ 20.00 °C. |
| Boiling Point: | 228.00 to 230.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.103000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 206.00 °F. TCC ( 96.67 °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: | |
| ethyl alcohol, 4 vol. of 70% alcohol | |
| kerosene | |
| paraffin oil | |
| water, very slightly | |
| water, 3.552 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| antiperspirant | |
| bleach | |
| deo stick | |
| deodorant | |
| detergent perborate | |
| fabric softener | |
| liquid detergent | |
| non-discoloring | |
| scouring powder | |
| shampoo | |
| soap | |
| very stable | |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | woody cedar floral oily herbal balsam green fruity |
| Substantivity: | 8 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety Information:
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Human Experience: | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 5000 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 657, 1978. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 657, 1978. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| Recommendation for woody acetate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for woody acetate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 32210-23-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 36081 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (4-tert-butylcyclohexyl) acetate | |
| Chemidplus: | 0032210234 |
| RTECS: | AF7117000 for cas# 32210-23-4 |
References:
| (4-tert-butylcyclohexyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 32210-23-4 |
| Pubchem (cid): | 36081 |
| Pubchem (sid): | 135031521 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (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: | 2916.35.1500 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetic acid (4-tert-butyl cyclohexyl) ester | |
| acetic acid (4-tert-butylcyclohexyl) ester | |
| acetic acid 4-t-butylcyclohexyl ester | |
| acetic acid, (4-tert-butylcyclohexyl) ester | |
| para tertiary- | butyl cyclo hexyl acetate |
| 4-tert- | butyl cyclohexanol acetate |
| 4-tert- | butyl cyclohexyl acetate |
| p-tert- | butyl cyclohexyl acetate |
| para tertiary- | butyl cyclohexyl acetate |
| para-tert- | butyl cyclohexyl acetate |
| para,tertiary- | butyl cyclohexyl acetate |
| p-tertiary- | butyl cyclohexyl acetate (rodonex) |
| butyl cyclohexyl acetate para | |
| 4-tert- | butyl hexahydrophenyl acetate |
| 4-tert- | butylcyclohexanol acetate |
| 4-tert- | butylcyclohexyl acetate |
| p-tert- | butylcyclohexyl acetate |
| para-tert- | butylcyclohexyl acetate |
| (4-tert- | butylcyclohexyl) acetate |
| (4-tert- | butylcyclohexyl)acetate |
| 4-tert- | butylhexahydrophenyl acetate |
| cyclohexanol, 4- (1, 1-dimethylethyl)-, acetate | |
| cyclohexanol, 4-(1,1-dimethylethyl)-, acetate | |
| cyclohexanol, 4-tert-butyl-, acetate | |
| 4-(1,1- | dimethyl ethyl) cyclohexyl ethanoate |
| 4-(1,1- | dimethylethyl)cyclohexanol acetate |
| 4-(1,1- | dimethylethyl)cyclohexylethanoate |
| lorysia (Firmenich) | |
| 4-(2- | methyl-2-propanyl)cyclohexyl acetate |
| oryclon | |
| P.T.B.C.H.A. | |
| 4-tert- | pentyl cyclohexanyl acetate |
| 4-tert- | pentylcyclohexanyl acetate |
| PTBCHA | |
| PTBCHA super | |
| rodonex | |
| vertenex (IFF) | |
| vertenex HC (IFF) | |
| woody acetate |