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1.09686

n-Heptane

reference substance for gas chromatography

Synonym(s):

Heptane

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About This Item

Linear Formula:
CH3(CH2)5CH3
CAS Number:
142-82-5
Molecular Weight:
100.20
EC Index Number:
205-563-8
UNSPSC Code:
12352001
Beilstein/REAXYS Number:
1730763
MDL number:
MFCD00009544
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vapor density

3.5 (vs air)

Quality Level

100

vapor pressure

40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)

assay

≥99.5% (GC)

form

liquid

autoignition temp.

433 °F

potency

>5000 mg/kg LD50, oral (Rat), >2000 mg/kg LD50, skin (Rabbit)

expl. lim.

7 %

technique(s)

gas chromatography (GC): suitable

refractive index

n20/D 1.387 (lit.)

bp

98 °C (lit.)

mp

−91 °C (lit.)

transition temp

flash point -4 °C

density

0.684 g/mL at 25 °C (lit.)

storage temp.

2-30°C

SMILES string

CCCCCCC

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

Analysis Note

Assay (GC): ≥ 99.5 %
Identity (IR): conforms

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flash_point_f

24.8 °F - closed cup

flash_point_c

-4 °C - closed cup

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

Regulatory Information

危险化学品

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