CAS Number3549-23-3
SynonymsMethyl 4-tert-butylphenylacetate; Fema no. 2690; Methyl (4-tert-butylphenyl)acetate; MFCD00051913; FEMA 2690; Acetic acid, (p-tert-butylphenyl)-, methyl ester; methyl 2-[4-(tert-butyl)phenyl]acetate; Methyl 4-(1,1-dimethylethyl)benzeneacetate; 4-tert-Butylphenylacetic acid methyl ester; Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester; Methyl [4-(2-methyl-2-propanyl)phenyl]acetate; 4-Tert-butylphenylaceticacidmethylester; Methyl 2-(4-(tert-butyl)phenyl)acetate; 2-(4-tert-butoxyphenyl)acetic acid methyl ester; Methyl 2-(4-tert-butylphenyl)acetate; p-tert-butyl-phenylacetic acid methyl ester; Methyl-p-Tert-Butgl Phenyl Acetate; Einecs 222-602-4; Methyl p-tert-butylphenylacetate; METHYLPARA-TERT-BUTYLPHENYLACETATE; METHYL 4-TERT-BUTYLBENZENEACETATE
Molecular Formula(CH3)3CC6H4CH2CO2CH3
Molecular Weight206.28
Purity≥97%
Density1.0±0.1 g/cm3
Boiling Point106 °C/2 mmHg (lit.)
AppearanceColorless oily liquid, sweet, slightly woody - camphor-specific smell
EINECS222-602-4
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3549-23-3 |
| Catalog No. | 2A-9029929 |
| Chinese Name | 对叔丁基苯乙酸甲酯 |
| Synonyms | Methyl 4-tert-butylphenylacetate; Fema no. 2690; Methyl (4-tert-butylphenyl)acetate; MFCD00051913; FEMA 2690; Acetic acid, (p-tert-butylphenyl)-, methyl ester; methyl 2-[4-(tert-butyl)phenyl]acetate; Methyl 4-(1,1-dimethylethyl)benzeneacetate; 4-tert-Butylphenylacetic acid methyl ester; Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester; Methyl [4-(2-methyl-2-propanyl)phenyl]acetate; 4-Tert-butylphenylaceticacidmethylester; Methyl 2-(4-(tert-butyl)phenyl)acetate; 2-(4-tert-butoxyphenyl)acetic acid methyl ester; Methyl 2-(4-tert-butylphenyl)acetate; p-tert-butyl-phenylacetic acid methyl ester; Methyl-p-Tert-Butgl Phenyl Acetate; Einecs 222-602-4; Methyl p-tert-butylphenylacetate; METHYLPARA-TERT-BUTYLPHENYLACETATE; METHYL 4-TERT-BUTYLBENZENEACETATE |
| Molecular Formula | (CH3)3CC6H4CH2CO2CH3 |
| Molecular Weight | 206.28 |
| Purity | ≥97 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 106 °C/2 mmHg (lit.) |
| Appearance | Colorless oily liquid, sweet, slightly woody - camphor-specific smell |
| Storage Condition | room temperature |
| Application | Methyl p-tert-butylphenylacetate is an endogenous metabolite. |
| EINECS | 222-602-4 |
| HTC | 2916399090 |
| PubChem ID | 24901255 |
| MDL Number | MFCD00051913 |
| SMILES | COC(=O)Cc1ccc(cc1)C(C)(C)C |
| InChI | 1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3 |
| InChI Key | HXVTYMWVMVKVTF-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | transportation |
| MSDS | msds/29929_1_3549_23_3.pdf |
| Bioactivity | Methyl p-tert-butylphenylacetate is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 268.2±9.0 °C at 760 mmHg Molecular Formula C13H18O2 Molecular Weight 206.281 Flash Point 98.7±17.1 °C Exact Mass 206.130676 PSA 26.30000 LogP 3.65 Vapour Pressure 0.0±0.5 mmHg at 25°C Index of Refraction 1.492 InChIKey HXVTYMWVMVKVTF-UHFFFAOYSA-N SMILES COC(=O)Cc1ccc(C(C)(C)C)cc1 |
| Use of | Methyl p-tert-butylphenylacetate is an endogenous metabolite. Properties Name Methyl p-tert-butylphenylacetate Synonym More Synonyms Methyl 4-tert-butylphenylacetate Biological Activity Description Methyl p-tert-butylphenylacetate is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Molecular Formula C13H18O2 Exact Mass 206.130676 PSA 26.30000 Index of Refraction 1.492 InChIKey HXVTYMWVMVKVTF-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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