para-tert-butyl phenyl acetate
fragrance agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
3056-64-2
|
| ECHA EC Number: |
221-288-6 |
| FDA UNII: |
Search |
| Category: |
fragrance agents |
| IUPAC Name: |
para-tert-butyl phenyl acetate |
| InChI : |
InChI=1/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| Std.InChI: |
InChI=1S/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey : |
FSALNWWFUMHOAU-UHFFFAOYAW |
| Std.InChIKey: |
FSALNWWFUMHOAU-UHFFFAOYSA-N |
| SMILES : |
CC(=O)OC1=CC=C(C=C1)C(C)(C)C |
| MDL: |
MFCD00026308 |
| Molar Refractivity : |
55.98 ± 0.3 cm3 (est) |
| Parachor : |
456.8 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.489 ± 0.02 (est) |
| Surface Tension : |
30.9 ± 3.0 dyne/cm (est) |
| Density : |
0.992 ± 0.06 g/cm3 (est) |
| Polarizability : |
22.19 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 247.00 to 249.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.016000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 206.00 °F. TCC ( 96.90 °C. ) (est) |
| logP (o/w): | 3.852 (est) |
| Soluble in: |
| | alcohol |
| | water, 49.19 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Safety Information:
| 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: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| p-tert- | butyl phenyl acetate |
| p-tert- | butylphenyl acetate |
| para-tert- | butylphenyl acetate |
| (4-tert- | butylphenyl) acetate |
| 4-(1,1- | dimethyl ethyl) phenol acetate |
| 4-(1,1- | dimethylethyl) phenol acetate |
