1-Methoxybuta-1,3-diene

HCID 18213
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Basic information

CAS
3036-66-6
Standard SMILES
C=CC=COC
InChIKey
KOCUMXQOUWPSLK-UHFFFAOYSA-N
Molecular formula
C5H8O
Average molar mass
84.12 g/mol
Monoisotopic mass
84.05751488

Names & identifiers

Preferred name
1-Methoxybuta-1,3-diene
IUPAC
1-methoxybuta-1,3-diene
English name
1-Methoxy-1,3-butadiene
Molecular formula
C5H8O
Molecular weight
84.12

Names & synonyms

1-methoxybuta-1,3-diene1-methoxy-butadieneSCHEMBL297847SCHEMBL7366576KOCUMXQOUWPSLK-UHFFFAOYSA-N19774-38-0NS000470991-Methoxybutadiene1-methoxy-3-butadiene1-Methoxy-1,3-butadiene1-methoxy-buta-1,3-diene1,3-Butadiene, 1-methoxy-
Show more names
ether,1,3-butadienylmethylMethyl 1,3-butadienyl ether1,3-Butadienyl methyl ether1-Methoxy-1,3-butadiene 95%Ether, 1,3-butadienyl methyl

Database identifiers

CAS
3036-66-6
PubChem CID
18213
DTXSID
DTXSID10871006

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point
91 °C · 91 °C (lit.)
Density
0.83 g/mL · 0.83 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.464(lit.)
Flash point
22 °F · 22 °F
storage temp.
2 · 2-8°C
form
liquid

Safety & regulation

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
KN4200000
ridadr
UN 1993 3/PG 2
risk_code
11
Signal word
Danger

Chemistry & industry

Suppliers7 total

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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