CAS Number53398-85-9
Synonymscis-3-Hexen-1-yl 2-Methylbutyrate; cis-3-Hexenyl 2-methylbutanoate; MFCD00036530; (3Z)-Hex-3-en-1-yl 2-methylbutanoate; (Z)-3-Hexenyl 2-methylbutyrate; 2-Methylbutyric acid cis-3-hexen-1-yl ester; Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester; Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester; cis-3-Hexenyl 2-methylbutyrate; EINECS 233-224-4; (3Z)-3-Hexen-1-yl 2-methylbutanoate
Molecular Formula(CH3)2CHCH2CO2CH2CH2CH=CHC2H5
Molecular Weight184.28
Purity≥97%
Density0.9±0.1 g/cm3
Boiling Point98 °C/15 mmHg (lit.)
Appearancecolorless liquid
EINECS252-404-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 53398-85-9 |
| Catalog No. | 2A-9043977 |
| Chinese Name | 顺式-3-己烯醇 2-甲基丁酸酯 |
| Synonyms | cis-3-Hexen-1-yl 2-Methylbutyrate; cis-3-Hexenyl 2-methylbutanoate; MFCD00036530; (3Z)-Hex-3-en-1-yl 2-methylbutanoate; (Z)-3-Hexenyl 2-methylbutyrate; 2-Methylbutyric acid cis-3-hexen-1-yl ester; Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester; Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester; cis-3-Hexenyl 2-methylbutyrate; EINECS 233-224-4; (3Z)-3-Hexen-1-yl 2-methylbutanoate |
| Molecular Formula | (CH3)2CHCH2CO2CH2CH2CH=CHC2H5 |
| Molecular Weight | 184.28 |
| Purity | ≥97 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 98 °C/15 mmHg (lit.) |
| Appearance | colorless liquid |
| Storage Condition | Seal and store at -20ºC |
| EINECS | 252-404-3 |
| HTC | 2915900090 |
| PubChem ID | 24901738 |
| MDL Number | MFCD00036533 |
| SMILES | CC\C=C/CCOC(=O)CC(C)C |
| InChI | 1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5- |
| InChI Key | AIQLNKITFBJPFO-WAYWQWQTSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | transportation |
| MSDS | msds/43977_1_53398_85_9.pdf |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| 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. ((Z)-Hex-3-enyl 2- methylbutyrate) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. ((Z)-Hex-3-enyl 2- methylbutyrate) International air transport hazard regulations: Environmentally hazardous substance, liquid, n.o.s. ((Z)-Hex-3-enyl 2-methylbutyrate) 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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