- 4-Methylbenzyl acetate
- 4-Methylbenzyl alcohol
- 4-Methylbenzyl bromide
- 4-Methylbenzyl chloride
- 4-Methylbenzyl cyanide
- 4-Methylbenzyl isocyanate
- 4-Methylbenzyl thiocyanate
- 4-Methylbenzylamine
- 4-Methylbenzylsulfonyl chloride
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Cas Database |
| Name |
4-Methylbenzyl acetate |
EINECS | 218-689-3 |
| CAS No. | 2216-45-7 | Density | 1.036 g/cm3 |
| PSA | 26.30000 | LogP | 2.05810 |
| Solubility | N/A | Melting Point |
40 °C |
| Formula | C10H12O2 | Boiling Point | 224.476 °C at 760 mmHg |
| Molecular Weight | 164.204 | Flash Point | 98.042 °C |
| Transport Information | N/A | Appearance | Colorless liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 7001;p-Acetoxymethyltoluene;p-Methylbenzylacetate;p-Tolubenzyl acetate;Benzenemethanol,4-methyl-, acetate (9CI);Benzyl alcohol, p-methyl-, acetate (6CI,7CI,8CI);p-Xylyl acetate; |
Article Data | 111 |
4-Methylbenzyl acetate Chemical Properties
Molecular Formula: C10H12O2
Molar mass: 164.2 g/mol
EINECS: 218-689-3
Density: 1.035 g/cm3
Flash Point: 98 °C
Index of Refraction: 1.505
Boiling Point: 224.5 °C at 760 mmHg
Vapour Pressure: 0.091 mmHg at 25°C
Product categories of 4-Methylbenzyl acetate (2216-45-7): Aromatic Esters
Structure of 4-Methylbenzyl acetate (2216-45-7):
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: P-tolylmethyl acetate
SMILES: O=C(OCc1ccc(cc1)C)C
InChI: InChI=1/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
InChIKey: WDCUPFMSLUIQBH-UHFFFAOYAB
Std. InChI: InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
Std. InChIKey: WDCUPFMSLUIQBH-UHFFFAOYSA-N
4-Methylbenzyl acetate Toxicity Data With Reference
| 1. | orl-rat LD50:5 g/kg | FCTOD7 Food and Chemical Toxicology. 30 (1992),79S. | ||
| 2. | skn-rbt LDLo:5 g/kg | FCTOD7 Food and Chemical Toxicology. 30 (1992),79S. |
4-Methylbenzyl acetate Consensus Reports
Reported in EPA TSCA Inventory.
4-Methylbenzyl acetate Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
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
4-Methylbenzyl acetate Specification
4-Methylbenzyl acetate (2216-45-7) also can be called 4-Methylbenzenemethanol acetate ; p-Xylene, alpha-acetoxy ; p-Methylbenzyl alcohol acetate ; p-Xylyl acetate and p-Methylbenzyl acetate .
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