244465
1-Octyne
97%
Synonym(s):
1-Ethynylhexane, Hexylacetylene, n-Hexylacetylene
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About This Item
Linear Formula:
CH3(CH2)5C≡CH
CAS Number:
Molecular Weight:
110.20
Beilstein:
1734494
MDL number:
UNSPSC Code:
12352100
eCl@ss:
39010411
PubChem Substance ID:
NACRES:
NA.22
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vapor pressure
37.7 mmHg ( 37.7 °C)
Quality Level
Assay
97%
form
liquid
impurities
≤3% 1-bromohexane
refractive index
n20/D 1.416 (lit.)
bp
127-128 °C (lit.)
mp
−80 °C (lit.)
density
0.747 g/mL at 25 °C (lit.)
SMILES string
CCCCCCC#C
InChI
1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChI key
UMIPWJGWASORKV-UHFFFAOYSA-N
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Application
1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase)[1].
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
60.8 °F - closed cup
Flash Point(C)
16 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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