-
Name
BENZOIC ACID 3-METHYL-2-BUTENYL ESTER
- EINECS
- CAS No. 5205-11-8
- Article Data17
- CAS DataBase
- Density 1.018g/cm3
- Solubility
- Melting Point
- Formula C12H14 O2
- Boiling Point 280.1°Cat760mmHg
- Molecular Weight 190.242
- Flash Point 125.1°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Buten-1-ol,3-methyl-, benzoate (7CI,8CI,9CI); 3-Methyl-2-butenyl benzoate; Prenyl benzoate
- PSA 26.30000
- LogP 2.80960
3-Methyl-2-butenyl benzoate Chemical Properties
IUPAC Name: 3-methylbut-2-enyl benzoate
Synonyms of 3-Methyl-2-butenyl benzoate (CAS NO.5205-11-8): 3-Methylbut-2-enyl benzoate ; BRN 2046710 ; Benzoic acid, 3-methyl-2-butenyl ester ; EINECS 225-998-7 ; Prenyl benzoate ; 2-Buten-1-ol, 3-methyl-, 1-benzoate ; 2-Buten-1-ol, 3-methyl-, benzoate
CAS NO: 5205-11-8
Molecular Formula of 3-Methyl-2-butenyl benzoate (CAS NO.5205-11-8): C12H14O2
Molecular Weight: 190.2384
Molecular Structure:
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H bond acceptors: 2
H bond donors: 0
#Freely Rotating Bonds: 4
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.516
Molar Refractivity: 56.45 cm3
Molar Volume: 186.7 cm3
Surface Tension: 35.1 dyne/cm
Density of 3-Methyl-2-butenyl benzoate (CAS NO.5205-11-8): 1.018 g/cm3
Flash Point: 125.1 °C
Enthalpy of Vaporization: 51.88 kJ/mol
Boiling Point: 280.1 °C at 760 mmHg
Vapour Pressure: 0.00387 mmHg at 25°C
3-Methyl-2-butenyl benzoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 819, 1982. | |
| rat | LD50 | oral | 4700mg/kg (4700mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 819, 1982. |
3-Methyl-2-butenyl benzoate Consensus Reports
Reported in EPA TSCA Inventory.
3-Methyl-2-butenyl benzoate Safety Profile
RTECS: EM9473900
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
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