CAS 87-20-7|Isopentyl 2-hydroxybenzoate

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 NameIsopentyl 2-hydroxybenzoate
CAS Number87-20-7Molecular Weight208.254
Density1.1±0.1 g/cm3Boiling Point276.0±0.0 °C at 760 mmHg
Molecular FormulaC12H16O3Melting Point/
MSDS/Flash Point109.9±12.6 °C

Names

NameIsopentyl 2-hydroxybenzoate
SynonymMore Synonyms

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point276.0±0.0 °C at 760 mmHg
Molecular FormulaC12H16O3
Molecular Weight208.254
Flash Point109.9±12.6 °C
Exact Mass208.109940
PSA46.53000
LogP4.18
Vapour Pressure0.0±0.6 mmHg at 25°C
Index of Refraction1.520
InChIKeyPMGCQNGBLMMXEW-UHFFFAOYSA-N
SMILESCC(C)CCOC(=O)c1ccccc1O
Storage condition2-8°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 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 CodesN:Dangerousfortheenvironment;
Risk PhrasesR51/53
Safety PhrasesS61
RIDADRUN 3082 9/PG 3
WGK Germany2
RTECSVO4375000
HS Code2918230000

Customs

HS Code2918230000
Summary2918230000 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
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