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5205-11-8

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Basic Information
CAS No.: 5205-11-8
Name: BENZOIC ACID 3-METHYL-2-BUTENYL ESTER
Article Data: 17
Molecular Structure:
Molecular Structure of 5205-11-8 (BENZOIC ACID 3-METHYL-2-BUTENYL ESTER)
Formula: C12H14 O2
Molecular Weight: 190.242
Synonyms: 2-Buten-1-ol,3-methyl-, benzoate (7CI,8CI,9CI); 3-Methyl-2-butenyl benzoate; Prenyl benzoate
Density: 1.018g/cm3
Boiling Point: 280.1°Cat760mmHg
Flash Point: 125.1°C
Safety: Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 2.80960
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Chemistry

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:

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

RTECS: EM9473900
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.