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| CAS No.: | 87-20-7 |
|---|---|
| Name: | Isoamyl o-hydroxybenzoate |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16O3 |
| Molecular Weight: | 208.257 |
| Synonyms: | Salicylicacid, isopentyl ester (6CI,8CI);Isopentyl alcohol, salicylate;3-Methylbutylsalicylate;Isoamyl o-hydroxybenzoate; |
| EINECS: | 201-730-4 |
| Density: | 1.083 g/cm3 |
| Boiling Point: | 276 °C at 760 mmHg |
| Flash Point: | 109.9 °C |
| Solubility: | 145mg/L(25 oC) |
| Appearance: | colorless liquid,color No.4 max |
| Hazard Symbols: |
 N
|
| Risk Codes: | 51/53 |
| Safety: | 61 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 46.53000 |
| LogP: | 2.59510 |
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Chemistry
Molecular Structure of 3-Methylbutyl 2-hydroxybenzoate (CAS NO.87-20-7):
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IUPAC Name: 3-methylbutyl 2-hydroxybenzoate
Empirical Formula: C12H16O3
Molecular Weight: 208.2536
EINECS: 201-730-4
FEMA: 2084
Merck: 5125
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 35.53Å2
Index of Refraction: 1.519
Molar Refractivity: 58.39 cm3
Molar Volume: 192.1 cm3
Surface Tension: 40.1 dyne/cm
Density: 1.083 g/cm3
Flash Point: 109.9 °C
Enthalpy of Vaporization: 53.52 kJ/mol
Boiling Point: 276 °C at 760 mmHg
Vapour Pressure: 0.00293 mmHg at 25°C
InChI
InChI=1/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
Smiles
c1(C(OCCC(C)C)=O)c(cccc1)O
Product Categories: Alphabetical Listings; Flavors and Fragrances; I-L
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 2480mg/kg (2480mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994. |
| rat | LD50 | oral | 3300mg/kg (3300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Experimental reproductive effects. Combustible liquid. When heated to decomposition it emits acrid smoke and fumes.
Safety information of 3-Methylbutyl 2-hydroxybenzoate (CAS NO.87-20-7):
Hazard Codes: 
N
Risk Statements: 51/53
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 61
S61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3082 9/PG 3
WGK Germany: 2
RTECS: VO4375000
Specification
3-Methylbutyl 2-hydroxybenzoate , with CAS number of 87-20-7, can be called (3-methyl-1-butyl)salicylate ; 2-hydroxy-benzoicaci3-methylbutylester ; 2-hydroxybenzoicacid3-methylbutylester ; 3-Methylbutyl 2-hydroxybenzoate ; 3-methylbutyl2-hydroxybenzoate ; Benzoic acid , o-hydroxy , 3-methylbutyl ester ; Benzoicacid , 2-hydroxy- , 3-methylbutylester ; Isoamylester kyseliny salicylove . 3-Methylbutyl 2-hydroxybenzoate (CAS NO.87-20-7) is used as a perfume scent and soaps. it should be store in a cool dry place.Absorb on sand or vermiculite and place in closed containers for disposal. Ventilate area and wash spill site after material pickup is complete.