4-Methyl-2-pentyne
Basic information
- CAS
21020-27-9- Standard SMILES
CC#CC(C)C- InChIKey
SLMFWJQZLPEDDU-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Names & identifiers
- Preferred name
- 4-Methyl-2-pentyne
- IUPAC
- 4-methylpent-2-yne
- English name
- 4-Methyl-2-pentyne
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
4-Methyl-2-pentyne21020-27-92-Pentyne, 4-methyl-DTXSID30175230RefChem:99745DTXCID7097721625-476-2InChI=1/C6H10/c1-4-5-6(2)3/h6H,1-3HSLMFWJQZLPEDDU-UHFFFAOYSA-N4-methylpent-2-yneIsopropylmethylacetyleneMFCD00041615
Show more names
methylpentyne4-methyl-pent-2-yne2-pentyne,4-methyl-4-Methyl-2-pentyne>4-Methyl-2-pentyne,95%4-METHYL-2-PENTYNE 96+%methyl(isopropyl)acetylene
M0270iso-propylmethylacetyleneSCHEMBL22391SCHEMBL23102SCHEMBL23420SCHEMBL234214-Methyl-2-pentyne, 96%SCHEMBL329320
Database identifiers
- CAS
21020-27-9- PubChem CID
- 140789
- DTXSID
DTXSID30175230- EC Number
- 625-476-2
- Nikkaji
- J208.683B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 76.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 110 °C · 110°C
- Boiling point
- 71 · 71-73 °C(lit.)
- Density
- 0.711 g/mL · 0.711 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.407(lit.)
- Flash point
- -100 °F · -100 °F
- storage temp.
- Flammables area
- form
- Liquid
- color
- Clear slightly yellow
- Henry's Law Constant
- 4.1 · 4.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3
- InChIKey
- SLMFWJQZLPEDDU-UHFFFAOYSA-N
- SMILES
- CC#CC(C)C
- UNSPSC Code
- 12352100 · 12352100
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
Danger
H225 (92.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (92.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- hs_code
- 29012900
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16-23-24/25
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225
- Hazard Classifications
- Flam. Liq. 2
- Precautionary statements
- P210
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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