4-Acetyl-6-t-butyl-1,1-dimethylindane (CAS 13171-00-1) — formula C17H24O, molecular weight 244.18 g/mol.
| CAS Number | 13171-00-1 |
|---|---|
| Molecular Formula | C17H24O |
| Molecular Weight | 244.18 g/mol |
| Melting Point | 78.5 °C |
| Boiling Point | BP: 304.5 °C at 101.325 kPa |
| LogP | log Kow = 5.7 |
4-Acetyl-6-t-butyl-1,1-dimethylindane is a chemical compound with CAS registry number 13171-00-1 and molecular formula C17H24O (molecular weight 244.18 g/mol).
CAS number: 13171-00-1
Its molecular formula C17H24O comprises 17 C, 24 H, 1 O atoms.
Also known as: 4-Acetyl-6-t-butyl-1,1-dimethylindane · 6-tert-butyl-1,1-dimethylindan-4-yl methyl ketone
The CAS registry number of 4-Acetyl-6-t-butyl-1,1-dimethylindane is 13171-00-1.
Molecular formula C17H24O, molecular weight 244.18 g/mol.
It is also registered under: 4-Acetyl-6-t-butyl-1,1-dimethylindane, 6-tert-butyl-1,1-dimethylindan-4-yl methyl ketone.
Independent reference data for 4-Acetyl-6-t-butyl-1,1-dimethylindane (CAS 13171-00-1), compiled from public chemistry databases.
| CAS Registry Number | 13171-00-1 |
|---|---|
| PubChem CID | 61585 |
| Molecular formula | C17H24O |
| Molecular weight | 244.18 g/mol |
| IUPAC name | 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone |
| InChIKey | IKTHMQYJOWTSJO-UHFFFAOYSA-N |
| UNII (FDA) | E1HM68Q21P |
| ChEBI ID | CHEBI:172483 |
| FEMA number | 3653 |
| JECFA number | 812 |
| Molecular Weight | 244.37 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 244.182715385 |
| Monoisotopic Mass | 244.182715385 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 18 |
| Boiling Point | BP: 304.5 °C at 101.325 kPa |
|---|---|
| Melting Point | 78.5 °C |
| Melting Point | 77.2 - 77.9 °C |
| Solubility | In water, 0.015 mg/L |
| Solubility | In water, 3.29 mg/L at 24 °C |
| Density | 1.06 at 21 °C |
| Vapor Pressure | VP: 0.05 Pa at 21 °C (3.75X10-3 mm Hg) |
| Vapor Pressure | 1.50X10-4 mm Hg (0.020 Pa) |
| LogP | log Kow = 5.7 |
CELESTOLIDE; 13171-00-1; 4-Acetyl-6-tert-butyl-1,1-dimethylindane; FEMA No. 3653; DTXSID9044536; Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-; acetyl tert-butyl dimethylindan; 4-Acetyl-6-butyl-1,1-dimethylindane; 6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone; Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl; E1HM68Q21P; DTXCID7024536; 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one; Ethanone, 1-(6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)-; 1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone; RefChem:124289
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Floral |
|---|---|
| GHS notification summary | 99.5% (1545 / 1553) |
| GHS notification summary | 99.5% (1545 / 1553) |
|---|
This chemical does not meet GHS hazard criteria for 99.5% (1545 of 1553) of all reports.
Reported as not meeting GHS hazard criteria by 1545 of 1553 companies (only 0.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
4-Acetyl-6-t-butyl-1,1-dimethylindane is identified by CAS 13171-00-1, molecular formula C17H24O and molecular weight 244.18 g/mol. UNII E1HM68Q21P; ChEBI 172483; InChIKey IKTHMQYJOWTSJO-UHFFFAOYSA-N. Boiling Point: BP: 304.5 °C at 101.325 kPa; Melting Point: 78.5 °C; Melting Point: 77.2 - 77.9 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.