Isopentyl 2-hydroxybenzoate
Names
[ CAS No. ]:
87-20-7
[ Name ]:
Isopentyl 2-hydroxybenzoate
[Synonym ]:
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
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
[ Storage condition ]:
2-8°C
MSDS
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 DATA
ACUTE 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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%