136-60-7

136-60-7 structure

Name: n-Butyl benzoate
Chemical Name: Butyl benzoate
CAS Number: 136-60-7
Molecular Formula: C₁₁H₁₄O₂
Molecular Weight: 178.228
Catalog: Flavors and spices Synthetic spice Carboxylic acid and ester perfume Aromatic carboxylic acid ester
Create Date: 2018-07-01 13:35:10
Modify Date: 2026-07-01 18:38:09
Butyl benzoate as involatile solvent, for sampling of isocyanates with silica gel solid phase extraction. Butyl benzoate has been used as preservative in commercial cosmetic lotions. 3-(tert-Butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate (1) was discovered as a moderate FXR antagonist. To improve the potency and the stability of the hit 1, forty derivatives were synthesized and SAR was systematically explored. The results turn out that replacing the 2,4-dichlorophenyl with 2,6-dichloro-4-amidophenyl shows great improvement in potency, replacing the benzoate with benzamide shows improvement in stability and slight declining of potency and 3-(tert-butyl)-4-hydroxyphenyl unit is essential in obtaining the FXR antagonistic activity.

Name	Butyl benzoate
Synonyms	2-butylbenzoate Butyl benzoate //BP Benzoic acid n-butyl ester n-Butyl BENZOIC ACID BUTYL ESTER IP Crier N-20 Benzoicacidbutylestet AI3-00521 Butylbenzoat Benzoic acid butyl Butyl Benzoate > Mvanol Crier BB daicixbn Anthrapole az Hipochem B-3-M Anthrapole AZ 4-butyl benzoate MFCD00009439 IP crier N 20 DAI CI XBN BENZOIC ACID N-BUTYL ESTER anthrapoleaz BUTYL BENZOATE butylesterkyselinybenzoove Chemcryl C 101N BUTYL BENZOATE -7 1-butoxy-3-(tert-butyl)benzene 1-butyl benzoate BUTYL BENZOATE ML Benzoic acid, butyl ester Chemcryl C-101N EINECS 205-252-7 3-oxypropyl) Isocyanurate Butyl ester of benzoic acid N-BUTYL BENZOATE 1-butylbenzoate Butyl benzoate, R Benzoic acid butyl ester Butylester kyseliny benzoove Dai Cari XBN butyl p-benzoate N-BUTYL BENZOATE, 1000MG, NEAT

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 **

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

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

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)

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

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%