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| CAS No.: | 32210-23-4 |
|---|---|
| Name: | 4-tert-Butylcyclohexyl acetate |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H22O2 |
| Molecular Weight: | 198.305 |
| Synonyms: | Cyclohexanol,4-(1,1-dimethylethyl)-, acetate (9CI);Cyclohexanol, 4-tert-butyl-, acetate(6CI,7CI,8CI);4-(1,1-Dimethylethyl)cyclohexyl acetate;4-tert-Butylcyclohexanol acetate;Boisinol A464D;Dorisyl;Madeflor;Oryclon extra;Oryclone;Oryclone special;Verbeniax;Vertinate;Vertopol;Ylanate;p-t-BCHA;p-tert-Butylcyclohexyl acetate;para-tert-Butylcyclohexyl acetate;PTBCHA; |
| EINECS: | 250-954-9 |
| Density: | 0.93 g/cm3 |
| Melting Point: | 228 - 230oC |
| Boiling Point: | 222.2 °C at 760 mmHg |
| Flash Point: | 90.8 °C |
| Solubility: | 39.6mg/L at 20℃ |
| Appearance: | Clear, colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 26.30000 |
| LogP: | 3.15440 |
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Chemistry
Molecular Formula: C12H22O2
Molar mass: 198.3019 g/mol
EINECS: 250-954-9
Density: 0.93 g/cm3
Flash Point: 90.8 °C
Index of Refraction: 1.45
Boiling Point: 222.2 °C at 760 mmHg
Vapour Pressure: 0.103 mmHg at 25°C
Stable: Stable. Flammable. Incompatible with strong oxidizing agents
Product categories of 4-tert-Butylcyclohexyl acetate (32210-23-4): Pharmaceutical Raw Materials;Esters;Carbonyl Compounds;Alphabetical Listings;Flavors and Fragrances
Structure of 4-tert-Butylcyclohexyl acetate (32210-23-4):
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: (4-Tert-butylcyclohexyl) acetate
SMILES: O=C(OC1CCC(CC1)C(C)(C)C)C
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
InChIKey: MBZRJSQZCBXRGK-UHFFFAOYAF
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
Std. InChIKey: MBZRJSQZCBXRGK-UHFFFAOYSA-N
Uses
4-tert-Butylcyclohexyl acetate (32210-23-4) is mainly used for daily chemical flavor.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 16 (1978),637. | ||
| 2. | orl-rat LD50:5000 mg/kg | FCTXAV Food and Cosmetics Toxicology. 16 (1978),637. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Hazard Codes: Xi.gif){kind=small}
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
4-tert-Butylcyclohexyl acetate (32210-23-4) also can be called Vertenex ; Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate ; Cyclohexanol, 4-tert-butyl-, acetate (8CI) and 4-(2-Methyl-2-propanyl)cyclohexyl acetate .