- 4-Isopropylbenzyl acetate
- 4-Isopropylbenzyl alcohol
- 4-Isopropylbenzyl bromide
- 4-Isopropylbenzyl chloride
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Cas Database |
| Name |
4-Isopropylbenzyl acetate |
EINECS | N/A |
| CAS No. | 59230-57-8 | Density | 0.999g/cm3 |
| PSA | 26.30000 | LogP | 2.87310 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H16 O2 | Boiling Point | 253.8°C at 760 mmHg |
| Molecular Weight | 192.258 | Flash Point | 98.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenemethanol,4-(1-methylethyl)-, acetate (9CI); 4-Isopropylbenzyl acetate; Cuminyl acetate;p-Cymen-7-ol acetate |
Article Data | 18 |
4-Isopropylbenzyl acetate Chemical Properties
Product Name: 4-Isopropylbenzyl acetate (CAS NO.59230-57-8)
Molecular Formula: C12H16O2
Molecular Weight: 192.25g/mol
Mol File: 59230-57-8.mol
EINECS: 261-671-5
Boiling point: 253.8 °C at 760 mmHg
Flash Point: 98.8 °C
Density: 0.999 g/cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 49.12 kJ/mol
Vapour Pressure: 0.0179 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Isopropylbenzyl acetate (CAS NO.59230-57-8):
IUPAC Name: (4-Propan-2-ylphenyl)methyl acetate
Canonical SMILES: CC(C)C1=CC=C(C=C1)COC(=O)C
InChI: InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3
InChIKey: QBCRVYRADYXNOW-UHFFFAOYSA-N
4-Isopropylbenzyl acetate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LDLo | skin | 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 30, Pg. 57S, 1992. | |
| rat | LD50 | oral | 1450mg/kg (1450mg/kg) | Food and Chemical Toxicology. Vol. 30, Pg. 57S, 1992. |
4-Isopropylbenzyl acetate Consensus Reports
Reported in EPA TSCA Inventory.
4-Isopropylbenzyl acetate Safety Profile
Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
4-Isopropylbenzyl acetate Specification
4-Isopropylbenzyl acetate , its CAS NO. is 59230-57-8, the synonyms are 3-06-00-01912 (Beilstein Handbook Reference) ; 4-(1-Methylethyl)benzenemethanol acetate ; BRN 1950785 ; Benzenemethanol, 4-(1-methylethyl)-, acetate ; Cuminyl acetate ; EINECS 261-671-5 ; p-Isopropylbenzyl acetate ; Benzenemethanol, 4-(1-methylethyl)-, 1-acetate ; Benzenemethanol, 4-(1-methylethyl)-, acetate .
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