3-Methyl-1-pentyne

HCID 136704CAS 922-59-8

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Basic information

Standard SMILES: C#CC(C)CC
InChIKey: PLHJCCHSCFNKCC-UHFFFAOYSA-N
Molecular formula: C6H10
Average molar mass: 82.14 g/mol
Monoisotopic mass: 82.07825032

Names & identifiers

Preferred name: 3-Methyl-1-pentyne
IUPAC: 3-methylpent-1-yne
English name: 3-Methyl-1-pentyne
Molecular formula: C6H10
Molecular weight: 82.14

Names & synonyms

3-Methyl-1-pentyne1-Pentyne, 3-methyl-33DA288VLRCH3CH2CH(CH3)C.$.CHSEC-BUTYLACETYLENE2-ETHYL-3-BUTYNENSC-134992NSC 134992RefChem:94707PLHJCCHSCFNKCC-UHFFFAOYSA-N922-59-83-methylpent-1-yne

Show more names

3-Methyl-1-pentyne 97%1-Pentyne, 3-methyl- (7CI, 8CI, 9CI)3-METHYL-1-PENTYNE, 97%3-METHYL-1-PENTYNE, 97%3-METHYL-1-PENTYNE, 97%3-METHYL-1-PENTYNE, 97%

MFCD00041623NSC134992UNII-33DA288VLRSCHEMBL24149SCHEMBL24468SCHEMBL25024SCHEMBL29490SCHEMBL29491

Database identifiers

CAS: 922-59-8
PubChem CID: 136704
DTXSID: DTXSID601350357
UNII: 33DA288VLR
EC Number: 976-609-9
Nikkaji: J303.513A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 63.4

Physicochemical properties

Melting point: -102.93 °C · -102.93°C (estimate)
Boiling point: 57 °C · 57°C
Density: 0 · 0,704 g/cm3
refractive index: 1.3891 · 1.3891
Henry's Law Constant: 4.6 · 4.6×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
FDA UNII: 33 DA288VLR · 33DA288VLR
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Risk Statements: 10 · 10
Safety Statements: 16 · 16

Safety & regulation

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, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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.