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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:
629-05-0
Molecular Weight:
110.20
NACRES:
NA.22
PubChem Substance ID:
24854678
eCl@ss:
39010411
UNSPSC Code:
12352100
MDL number:
MFCD00009546
Beilstein/REAXYS Number:
1734494
Assay:
97%
Form:
liquid
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vapor pressure

37.7 mmHg ( 37.7 °C)

Quality Segment

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

Application

1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase).

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Danger

Hazard Codes

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

60.8 °F - closed cup

Flash Point (°C)

16 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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