Methyl benzoate
Names
[ CAS No. ]:
93-58-3
[ Name ]:
Methyl benzoate
[Synonym ]:
Clorius
Essence of niobe
Benzoic acid,methyl ester
Methyl benzoate
METHYL BENZOATE FOR SYNTHESIS
Benzoic Acid Methyl Ester
BENZOIC ACID METHYLESTER
Methyl benzenecarboxylate
Niobe oil
EINECS 202-259-7
METHYL BENZOATE (20 LT )
Methylbenzoate
Oil of niobe
MFCD00008421
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
199.5±0.0 °C at 760 mmHg
[ Melting Point ]:
-12 °C
[ Molecular Formula ]:
C8H8O2
[ Molecular Weight ]:
136.148
[ Flash Point ]:
82.8±0.0 °C
[ Exact Mass ]:
136.052429
[ PSA ]:
26.30000
[ LogP ]:
2.20
[ Vapour density ]:
4.68 (vs air)
[ Vapour Pressure ]:
0.3±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.509
[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases.
[ Water Solubility ]:
<0.1 g/100 mL at 22.5 ºC
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DH3850000
- CHEMICAL NAME :
- Benzoic acid, methyl ester
- CAS REGISTRY NUMBER :
- 93-58-3
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C8-H8-O2
- MOLECULAR WEIGHT :
- 136.16
- WISWESSER LINE NOTATION :
- 1OVR
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 :
- 1177 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
- REFERENCE :
- FAVUAI Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. (Izdatel'stvo Naukova Dumka, Kiev, USSR) No.1- 1966- Volume(issue)/page/year: 18,69,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3330 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - excitement
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 10 gm/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - muscle weakness Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,358,1945
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2170 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Skin and Appendages - hair
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,358,1945
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 4100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,937,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 17400 mg/kg/60D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(11),85,1984 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1650 No. of Facilities: 61 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 1002 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1650 No. of Facilities: 4188 (estimated) No. of Industries: 51 No. of Occupations: 60 No. of Employees: 73641 (estimated) No. of Female Employees: 25030 (estimated)
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Precautionary Statements ]:
P301 + P312 + P330
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
S36
[ RIDADR ]:
UN 2938
[ WGK Germany ]:
1
[ RTECS ]:
DH3850000
[ Hazard Class ]:
6.1
[ HS Code ]:
4002191900
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2916310090
[ Summary ]:
2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%
Articles
Bioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).J. Med. Chem. 48 , 3269-79, (2005)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...
Identification of olfactory receptor neurons in Uraba lugens (Lepidoptera: Nolidae) and its implications for host range.J. Insect Physiol. 78 , 33-46, (2015)
Phytophagous insects detect volatile compounds produced by host and non-host plants, using species-specific sets of olfactory receptor neurons (ORNs). To investigate the relationship between the range...