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1-Methoxy-3-methylbut-2-ene

HCID 316780
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Basic information

CAS
22093-99-8
Standard SMILES
COCC=C(C)C
InChIKey
MVQDNWRPFWUJRQ-UHFFFAOYSA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Names & identifiers

Preferred name
1-Methoxy-3-methylbut-2-ene
IUPAC
1-methoxy-3-methylbut-2-ene
English name
Methyl 3-methyl-2-butenyl ether
Molecular formula
C6H12O
Molecular weight
100.16

Names & synonyms

1-methoxy-3-methylbut-2-ene22093-99-8DTXSID90944727RefChem:433517DTXCID401373064843-992-81-Methoxy-3-methyl-2-butenemethyl 3-methyl-2-butenyl etherMethyl prenyl etherNSC2451594-methoxy-2-methyl-2-buteneSCHEMBL1020209
Show more names
2-Butene, 1-methoxy-3-methyl-(3-Methyl-2-butenyl)methyl ether
SCHEMBL2607547SCHEMBL30386992-Butene,1-methoxy-3-methyl-SCHEMBL17103303SCHEMBL17103305NSC-245159DS-013065EN300-7460968

Database identifiers

CAS
22093-99-8
PubChem CID
316780
DTXSID
DTXSID90944727
EC Number
843-992-8
Nikkaji
J27.124A

Properties

Computed structural propertiesFilling in

XLogP
1.6
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
Formal charge
0
Complexity
60.6

Physicochemical properties

Symbol(GHS)
7 · GHS07,GHS02
Signal word
Danger
Hazard statements
225 · H225-H319-H335-H315
Precautionary statements
210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS02
Hazard statements
H225-H319-H335-H315
Precautionary statements
P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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Compound notes

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