| Identification | More | [Name]
Methyl 4-methylbenzoate | [CAS]
99-75-2 | [Synonyms]
4-METHYLBENZOIC ACID METHYL ESTER
4-METHYL METHYLBENZOATE
METHYL 4-METHYLBENZOATE
METHYL 4-TOLUATE
METHYL PARA TOLUATE
METHYL P-METHYLBENZOATE
METHYL P-TOLUATE
P-TOLUIC ACID METHYL ESTER
P-TOLULYL ACID METHYL ESTER
RARECHEM AL BF 0113
4-(Methoxycarbonyl)toluene
4-methyl-benzoicacimethylester
Benzoicacid,4-methyl-,methylester
Methyl ester of 4-methylbenzoic acid
Methylp-tolulate
MPT
p-Carbomethoxytoluene
p-Toluylic acid, methyl ester
4-Toluic acid methylester
METHYL 4-METHYLBENZOATE, 99+% | [EINECS(EC#)]
202-784-1 | [Molecular Formula]
C9H10O2 | [MDL Number]
MFCD00008441 | [Molecular Weight]
150.17 | [MOL File]
99-75-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white low melting crystalline solid and/or | [Melting point ]
32-35 °C (lit.) | [Boiling point ]
103-104 °C/15 mmHg (lit.) | [density ]
1.06
| [vapor density ]
4.7 (vs air)
| [vapor pressure ]
1 mm Hg ( 39 °C)
| [refractive index ]
1.5002 (estimate) | [Fp ]
90 °C
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) | [form ]
Solid | [color ]
White to Off-White | [Odor]
at 100.00 %. sweet anisic floral ylang | [explosive limit]
1-9.5%(V) | [Odor Type]
anisic | [Water Solubility ]
<0.1 g/100 mL at 22 ºC | [BRN ]
1100609 | [Henry's Law Constant]
2.6×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010) | [Dielectric constant]
4.3（33℃） | [Stability:]
Unstable in Solution | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3 | [InChIKey]
QSSJZLPUHJDYKF-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(C)cc1 | [LogP]
2.7 at 25℃ | [Uses]
Organic synthesis. | [CAS DataBase Reference]
99-75-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 4-methyl-, methyl ester(99-75-2) | [EPA Substance Registry System]
99-75-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2 | [RTECS ]
XU2150000 | [Autoignition Temperature]
932 °F | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Skin Irrit. 2 | [Hazardous Substances Data]
99-75-2(Hazardous Substances Data) | [Toxicity]
LD50 oral in rat: 3300mg/kg |
| Hazard Information | Back Directory | [General Description]
Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. | [Reactivity Profile]
METHYL-P-TOLUATE(99-75-2) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
white low melting crystalline solid and/or | [Application]
Methyl 4-methylbenzoate offers interesting and pleasant variations
in the Methylbenzoate theme in Ylang-Ylang,
and it introdums powerful, floral notes in soap
and detergent perfumes or, thanks to its low
cost, it may be used even in fragrances for
masking of industrial odors. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 54, p. 1144, 1989 DOI: 10.1021/jo00266a028
Synthetic Communications, 20, p. 3273, 1990 |
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Maya High Purity Chemicals
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