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

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

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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Related Compounds

  • 4-cyanophenol-4'-n-butyl benzoate
  • methyl 4-butylbenzoate
  • 4-(1-bromo-butyl)-benzoic acid methyl ester
  • n-butyl 4-(methoxymethoxy)benzoate
  • n-butyl (4-chloromethyl)benzoate
  • n-butyl p-(p'-methoxycinnamoyloxy)benzoate
  • 5-(1,3-benzodioxol-5-yl)-3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
  • 1-(5-Iodo-2-methoxybenzenesulfonyl)-4-methylpiperazine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 5-methyl-N-(2-morpholinoethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde