Introduction:Basic information about CAS 87-20-7|Isopentyl 2-hydroxybenzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isopentyl 2-hydroxybenzoate |
|---|
| CAS Number | 87-20-7 | Molecular Weight | 208.254 |
|---|
| Density | 1.1±0.1 g/cm3 | Boiling Point | 276.0±0.0 °C at 760 mmHg |
|---|
| Molecular Formula | C12H16O3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 109.9±12.6 °C |
|---|
Names
| Name | Isopentyl 2-hydroxybenzoate |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|
| Boiling Point | 276.0±0.0 °C at 760 mmHg |
|---|
| Molecular Formula | C12H16O3 |
|---|
| Molecular Weight | 208.254 |
|---|
| Flash Point | 109.9±12.6 °C |
|---|
| Exact Mass | 208.109940 |
|---|
| PSA | 46.53000 |
|---|
| LogP | 4.18 |
|---|
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.520 |
|---|
| InChIKey | PMGCQNGBLMMXEW-UHFFFAOYSA-N |
|---|
| SMILES | CC(C)CCOC(=O)c1ccccc1O |
|---|
| Storage condition | 2-8°C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- VO4375000
- CHEMICAL NAME :
- Salicylic acid, isopentyl ester
- CAS REGISTRY NUMBER :
- 87-20-7
- BEILSTEIN REFERENCE NO. :
- 2580465
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C12-H16-O3
- MOLECULAR WEIGHT :
- 208.28
- WISWESSER LINE NOTATION :
- QR BVO2Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3300 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (2),25,1994
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 2480 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (2),25,1994 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 43 gm/kg/13W-C
- TOXIC EFFECTS :
- Behavioral - fluid intake Kidney, Ureter, Bladder - urine volume increased Kidney, Ureter, Bladder - changes in bladder weight
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,185,1975 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 12600 mg/kg
- SEX/DURATION :
- male 42 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,185,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1608 No. of Facilities: 186 (estimated) No. of Industries: 4 No. of Occupations: 20 No. of Employees: 5116 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1608 No. of Facilities: 7395 (estimated) No. of Industries: 42 No. of Occupations: 48 No. of Employees: 73285 (estimated) No. of Female Employees: 34267 (estimated)
|
Safety Information
| Hazard Codes | N:Dangerousfortheenvironment; |
|---|
| Risk Phrases | R51/53 |
|---|
| Safety Phrases | S61 |
|---|
| RIDADR | UN 3082 9/PG 3 |
|---|
| WGK Germany | 2 |
|---|
| RTECS | VO4375000 |
|---|
| HS Code | 2918230000 |
|---|
Customs
| HS Code | 2918230000 |
|---|
| Summary | 2918230000 other esters of salicylic acid and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
|---|
Synonyms
| 3-Methylbutyl salicylate |
| Isopentyl 2-hydroxybenzoate |
| MFCD00020037 |
| Isopentyl salicylate |
| EINECS 201-730-4 |
| Isoamyl salicylate |
| QR BVO2Y1&1 |
| Benzoic acid, 2-hydroxy-, 3-methylbutyl ester |
| Isoamyl o-hydroxybenzoate |
| 3-Methylbutyl 2-hydroxybenzoate |