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Merck
CN

442615

Hexane

analytical standard

Synonym(s):

n-Hexane

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About This Item

Linear Formula:
CH3(CH2)4CH3
CAS Number:
110-54-3
Molecular Weight:
86.18
MDL number:
MFCD00009520
EC Number:
203-777-6
UNSPSC Code:
12352200
PubChem Substance ID:
24867929
Beilstein/REAXYS Number:
1730733

Key Documents

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InChI key

VLKZOEOYAKHREP-UHFFFAOYSA-N

InChI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

SMILES string

CCCCCC

grade

analytical standard

vapor density

~3 (vs air)

vapor pressure

256 mmHg ( 37.7 °C), 5.2 psi ( 37.7 °C), ~132 mmHg ( 20 °C)

autoignition temp.

453 °F

expl. lim.

7.7 %

packaging

ampule of 1000 mg

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

mp

−95 °C (lit.)

density

0.659 g/mL at 25 °C (lit.)

application(s)

environmental
petroleum

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signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

target_organs

Central nervous system, Nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-7.6 °F - closed cup

flash_point_c

-22 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
LB85363V
LB81651V
LB79459
LB78103
LB72850

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PloS one, 9(12), e114284-e114284 (2014-12-04)
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