2-(3-Hexenyl)-5-methylfuran, (3Z)-
Basic information
- CAS
4868-20-6- Standard SMILES
CC/C=C\CCc1ccc(C)o1- InChIKey
YCLNYBGZRIUBQT-PLNGDYQASA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 2-(3-Hexenyl)-5-methylfuran, (3Z)-
- IUPAC
- 2-[(Z)-hex-3-enyl]-5-methylfuran
- English name
- (Z)-2-(3-hexenyl)-5-methylfuran
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
(Z)-2-(3-Hexenyl)-5-methylfuran4868-20-62-(3-Hexenyl)-5-methylfuran, (3Z)-EINECS 225-475-3DTXSID9013005012-(3Z)-3-Hexen-1-yl-5-methylfuranRefChem:455602DTXCID901730617225-475-33354653430UNII-33546534302-[(3Z)-HEX-3-EN-1-YL]-5-METHYLFURAN
Show more names
2-[(Z)-3-Hexenyl]-5-methylfuranFuran, 2-(3Z)-3-hexen-1-yl-5-methyl-
SCHEMBL11810545YCLNYBGZRIUBQT-PLNGDYQASA-N(3Z)-2-(3-hexenyl)-5-methylfuranNS00081360Q27231273
Database identifiers
- CAS
4868-20-6- PubChem CID
- 6437342
- DTXSID
DTXSID901300501- UNII
- 3354653430
- EC Number
- 225-475-3
- Nikkaji
- J27.280I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 207.85 ℃ · 207.85℃ at 101.325kPa
- Density
- 0.907 · 0.907±0.06 g/cm3(Predicted)
- vapor pressure
- 10.99 Pa · 10.99Pa at 20℃
- LogP
- 4.499 · 4.499 (est)
- FDA UNII
- 3354653430 · 3354653430
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Active
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: (Z)-2-(3-hexenyl)-5-methylfuran (EC: 225-475-3)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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