n-Butyl benzoate

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Names

[ CAS No. ]:
136-60-7

[ Name ]:
n-Butyl benzoate

[Synonym ]:
Anthrapole AZ
4-butyl benzoate
EINECS 205-252-7
MFCD00009439
Benzoic acid n-butyl ester
Butyl benzoate
Benzoic acid butyl ester
1-butyl benzoate
Dai Cari XBN
butyl p-benzoate
Benzoic acid, butyl ester

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
250.4±8.0 °C at 760 mmHg

[ Melting Point ]:
-22 °C

[ Molecular Formula ]:
C₁₁H₁₄O₂

[ Molecular Weight ]:
178.228

[ Flash Point ]:
106.1±0.0 °C

[ Exact Mass ]:
178.099380

[ PSA ]:
26.30000

[ LogP ]:
3.79

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.499

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4925000

CHEMICAL NAME :: Benzoic acid, butyl ester

CAS REGISTRY NUMBER :: 136-60-7

BEILSTEIN REFERENCE NO. :: 1867073

LAST UPDATED :: 199806

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C11-H14-O2

MOLECULAR WEIGHT :: 178.25

WISWESSER LINE NOTATION :: 4OVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 10/15/1958 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 735 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,7,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3450 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Gastrointestinal - other changes Blood - hemorrhage

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539230

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 4 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,7,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80635 No. of Facilities: 102 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 3194 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80635 No. of Facilities: 343 (estimated) No. of Industries: 10 No. of Occupations: 13 No. of Employees: 16662 (estimated) No. of Female Employees: 1038 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DG4925000

[ HS Code ]:
29163100

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Iodobenzene
carbon monoxide
Butanol
tribenzylstannane
1-Butanol, 4-iodo-,1-benzoate
4-bromobutyl benzoate
Chlorobenzene
Ethanone,2,2,2-trichloro-1-phenyl-
1-Chlorobutane
Benzoyl peroxide

DownStream

2-Ethylhexyl Benzoate
2-Ethylhexanol
1-Phenylbutan-1-one
Butanol
Isopropyl Benzoate
benzyl benzoate
3-oxobutyl benzoate
Benzenemethanol, a-propyl-
Benzenemethanol,a-propyl-, 1-benzoate
benzoic acid

Customs

[ HS Code ]: 2909309090

[ Summary ]:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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