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244465

1-Octyne

Name: 1-Octyne
Brand: ALDRICH

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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Properties

vapor pressure

37.7 mmHg ( 37.7 °C)

Quality Segment

100

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

Description

Application

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

pictograms

GHS02,GHS08

signalword

Danger

hcodes

H225,H304

pcodes

P210 - P233 - P240 - P241 - P301 + P310 - P331

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

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

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