-
Name
ISOPROPYL BENZOATE
- EINECS
- CAS No. 939-48-0
- Article Data252
- CAS DataBase
- Density 1.021g/cm3
- Solubility 1mg/L at 20℃
- Melting Point -26.4oC
- Formula C10H12 O2
- Boiling Point 221.5°Cat760mmHg
- Molecular Weight 164.204
- Flash Point 93°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. Mildly toxic by skin contact. A skin and eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water, spray, CO2, dry chemical. See also ESTERS.
- Risk Codes 22
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Molecular Structure
- Hazard Symbols Xn
- Synonyms Benzoicacid, isopropyl ester (6CI,7CI,8CI); 1-Methylethyl benzoate; Benzoic acidiso-propyl ester; Isopropyl benzoate
- PSA 26.30000
- LogP 2.25180
Isopropyl benzoate Chemical Properties
Molecular Structure of Isopropyl benzoate (CAS NO. 939-48-0):
EINECS: 213-361-6
IUPAC Name: Propan-2-yl benzoate
Molecular Formula: C10H12O2
Molecular Weight: 164.201080 g/mol
XLogP3: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CC(C)OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey: FEXQDZTYJVXMOS-UHFFFAOYSA-N
Index of Refraction: 1.499
Molar Refractivity: 47.25 cm3
Molar Volume: 160.7 cm3
Surface Tension: 34.3 dyne/cm
Density: 1.021 g/cm3
Flash Point: 93 °C
Enthalpy of Vaporization: 45.79 kJ/mol
Boiling Point: 221.5 °C at 760 mmHg
Vapour Pressure: 0.107 mmHg at 25 °C
Water Solubility: 126 mg/L at 25 °C
Isopropyl benzoate Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open MLD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 2. | eye-rbt 500 mg open | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 3. | orl-rat LD50:3730 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 4. | skn-rbt LD50:20 g/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. |
Isopropyl benzoate Consensus Reports
Reported in EPA TSCA Inventory.
Isopropyl benzoate Safety Profile
Safety Information of Isopropyl benzoate (CAS NO. 939-48-0):
RTECS: DH3150000
Moderately toxic by ingestion. Mildly toxic by skin contact. A skin and eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water, spray, CO2, dry chemical. See also ESTERS.
Isopropyl benzoate Specification
Isopropyl benzoate with cas registry number of 939-48-0 is also known as 1-Methylethyl benzoate ; 4-09-00-00289 (Beilstein Handbook Reference) ; AI3-01132 ; Benzoic acid, 1-methylethyl ester ; Benzoic acid, isopropyl ester ; FEMA No. 2932 ; Isopropyl benzoate ; Isopropylester kyseliny benzoove ; Isopropylester kyseliny benzoove [Czech] .
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