HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18213Generated: October 26, 2026
1-Methoxybuta-1,3-diene
1-Methoxybutadiene · 1-methoxy-3-butadiene · 1-Methoxy-1,3-butadiene · 1-methoxy-buta-1,3-diene · 1,3-Butadiene, 1-methoxy- · ether,1,3-butadienylmethyl · Methyl 1,3-butadienyl ether · 1,3-Butadienyl methyl ether
https://huagongshe.com/en/chemical/18213
Identifiers & Physical Properties
| CAS No. | 3036-66-6 |
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| Molecular formula | C5H8O |
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| Average molar mass | 84.12 g/mol |
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| Monoisotopic mass | 84.05751488 g/mol |
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| SMILES | C=CC=COC |
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| InChIKey | KOCUMXQOUWPSLK-UHFFFAOYSA-N |
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| PubChem CID | 18213 |
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| DTXSID | DTXSID10871006 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 9.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 6 |
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| Formal charge | 0 |
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| Complexity | 55 |
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| SpringerMaterials Properties | Density |
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| Boiling point | 91 °C (lit.) |
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| Density | 0.83 g/mL at 25 °C (lit.) |
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| Refractive index | n20/D 1.464(lit.) |
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| Flash point | 22 °F |
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| Storage conditions | 2-8°C |
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| Physical state | liquid |
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| BRN | 1420823 |
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| InChI | 1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+ |
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| InChIKey | KOCUMXQOUWPSLK-SNAWJCMRSA-N |
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| SMILES | CO\C=C\C=C |
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| EWG's Food Scores | 1 |
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| FDA UNII | 45C05L2K30 |
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| UNSPSC Code | 12352100 |
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| NACRES | NA.22 |
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| GHS pictogram | GHS02,GHS07 |
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| Signal word | Danger |
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| GHS hazard statements | H225-H302 |
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| GHS precautionary statements | P210-P301+P312+P330 |
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| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
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| Hazard symbols | F |
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| Risk statements (R) | 11 |
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| Safety statements (S) | 23-24/25 |
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| UN transport number | UN 1993 3/PG 2 |
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| Water hazard class (WGK) | 3 |
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| RTECS number | KN4200000 |
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| Hazard class | 3.1Acute Tox. 4 OralFlam. Liq. 2 |
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| Packing group | II |
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| Storage class | 3 - Flammable liquids |
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Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
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| Water hazard class (WGK) | 3 |
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| RTECS number | KN4200000 |
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| UN transport number | UN 1993 3/PG 2 |
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| Risk statements (R) | 11 |
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| Signal word | Danger |
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| GHS pictogram | GHS02,GHS07 |
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| Hazard symbols | F |
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| Safety statements (S) | 23-24/25 |
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| Hazard class | 3.1Acute Tox. 4 OralFlam. Liq. 2 |
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| Storage class | 3 - Flammable liquids |
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| Packing group | II |
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| GHS hazard statements | H225-H302 |
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| GHS precautionary statements | P210-P301+P312+P330 |
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