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Substance Name: Methyl 4-methylbenzoate
RN: 99-75-2
UNII: 964JP0ZZRG
InChIKey: QSSJZLPUHJDYKF-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C9-H10-O2
Molecular Weight
- 150.176
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Methyl 4-methylbenzoate
Synonyms
- 4-(Methoxycarbonyl)toluene
- 4-09-00-01726 (Beilstein Handbook Reference)
- 4-Methylbenzoic acid methyl ester
- AI3-04243
- BRN 1100609
- CCRIS 6071
- EC 202-784-1
- EINECS 202-784-1
- HSDB 5327
- Methyl 4-methylbenzoate
- Methyl 4-toluate
- Methyl p-methylbenzoate
- Methyl p-toluate
- Methyl p-toluenecarboxylate
- Methyl-p-toluate
- NSC 24761
- p(Methoxycarbonyl)toluene
- p-Carbomethoxytoluene
- UNII-964JP0ZZRG
Systematic Names
- Benzoic acid, 4-methyl-, methyl ester
- Methyl p-toluate
- p-Toluic acid, methyl ester
Superlist Name
- p-Toluic acid, methyl ester
Registry Numbers
CAS Registry Number
- 99-75-2
FDA UNII
- 964JP0ZZRG
System Generated Number
- 0000099752
Structure Descriptors
InChI
InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3InChIKey
QSSJZLPUHJDYKF-UHFFFAOYSA-NSmiles
COC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | oral | 3800mg/kg (3800mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
mouse | LD50 | intraperitoneal | 1250mg/kg (1250mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982. | |
mouse | LD50 | oral | 3800mg/kg (3800mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 873, 1979. | |
rat | LD50 | oral | 3300mg/kg (3300mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 873, 1979. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 33.2 | deg C | EXP | |
Boiling Point | 220 | deg C | EXP | |
log P (octanol-water) | 2.7 | (none) | EXP | |
Water Solubility | 375 | mg/L | 25 | EST |
Vapor Pressure | 0.164 | mm Hg | 25 | EST |
Henry's Law Constant | 3.83E-05 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.99E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.