CAS Number10094-34-5
SynonymsButanoic acid, 1,1-dimethyl-2-phenylethyl ester; MFCD00027132; Butyric acid, α,α-dimethylphenethyl ester; a,a-Dimethylphenethyl butyrate; (2-methyl-1-phenylpropan-2-yl) butanoate; α,α-Dimethylphenethyl butyrate; 2-Methyl-1-phenyl-2-propanyl butyrate; 2-methyl-1-phenylpropan-2-yl butanoate; 2-Methyl-1-phenylpropan-2-yl butyrate; EINECS 233-221-8
Molecular FormulaCH3CH2CH2CO2C(CH3)2CH2C6H5
Molecular Weight220.31
Purity≥95%
Density1.0±0.1 g/cm3
Boiling Point237-255 °C (lit.)
AppearanceColorless liquid, mild, herbal, fruity aroma
EINECS233-221-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 10094-34-5 |
| Catalog No. | 2A-9034627 |
| Chinese Name | 丁酸二甲基苄基原酯 |
| Synonyms | Butanoic acid, 1,1-dimethyl-2-phenylethyl ester; MFCD00027132; Butyric acid, α,α-dimethylphenethyl ester; a,a-Dimethylphenethyl butyrate; (2-methyl-1-phenylpropan-2-yl) butanoate; α,α-Dimethylphenethyl butyrate; 2-Methyl-1-phenyl-2-propanyl butyrate; 2-methyl-1-phenylpropan-2-yl butanoate; 2-Methyl-1-phenylpropan-2-yl butyrate; EINECS 233-221-8 |
| Molecular Formula | CH3CH2CH2CO2C(CH3)2CH2C6H5 |
| Molecular Weight | 220.31 |
| Purity | ≥95 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 237-255 °C (lit.) |
| Appearance | Colorless liquid, mild, herbal, fruity aroma |
| Storage Condition | Ventilated and low temperature drying |
| EINECS | 233-221-8 |
| HTC | 2915600000 |
| PubChem ID | 24901043 |
| MDL Number | MFCD00027132 |
| SMILES | CCCC(=O)OC(C)(C)Cc1ccccc1 |
| InChI | 1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3 |
| InChI Key | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | 9.0 |
| MSDS | msds/34627_1_10094_34_5.pdf |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% 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 Danger Regulations: 3082 International Maritime Danger Regulations: 3082 International Air Transport Danger Regulations: 3082 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (α, α- Dimethylphenethyl butyrate) IMDG Code: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (α, α- Dimethylphenethyl butyrate) International air transport hazard regulations: Environmentally hazardous substance, liquid, n.o.s. (α, α-Dimethylphenethyl butyrate) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), See reverse side of invoice or packing slip. |
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