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Merck

PHR1554

Heptane

greener alternative

Pharmaceutical Secondary Standard; Certified Reference Material

Synonym(s):

Heptane

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About This Item

Linear Formula:
CH3(CH2)5CH3
CAS Number:
142-82-5
Molecular Weight:
100.20
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329823463
EC Number:
205-563-8
Beilstein/REAXYS Number:
1730763
MDL number:
MFCD00009544

Key Documents

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InChI key

IMNFDUFMRHMDMM-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCC

grade

certified reference material, pharmaceutical secondary standard

agency

traceable to USP 1304209

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)

CofA

current certificate can be downloaded

autoignition temp.

433 °F

expl. lim.

7 %

packaging

ampule of 3x1.2 mL each

greener alternative product characteristics

Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

sustainability

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technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.387 (lit.)

Quality Level

300

bp

98 °C (lit.)

mp

−91 °C (lit.)

density

0.684 g/mL at 25 °C (lit.)

application(s)

pharmaceutical (small molecule)

format

neat

greener alternative category

Aligned

storage temp.

2-30°C

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General description

Heptane is a non-polar organic solvent and a straight-chain alkane with seven carbon atoms. It is generally employed in the synthesis of pharmaceuticals and considered to be one of the green solvents.
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Heptane is an environmentally preferable solvent compared to hexane and thus align with "Safer Solvents and Auxiliaries". Click here for more information.

Application

Heptane may be used as a pharmaceutical reference solvent standard for the determination of the analyte in bulk drug and pharmaceutical formulations by gas chromatography.
These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Analysis Note

These secondary standards offer multi-traceability to the USP and EP primary standards, where they are available.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
This Certified Reference Material (CRM) is produced and certified in accordance with ISO 17034 and ISO/IEC 17025. All information regarding the use of this CRM can be found on the certificate of analysis.
To see an example of a Certificate of Analysis for this material enter LRAC0594 in the slot below. This is an example certificate only and may not be the lot that you receive.

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

flash_point_f

24.8 °F - closed cup

flash_point_c

-4 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Class I Designated Chemical Substances

prtr

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

PHR1554-1.2ML-PW: + PHR1554-3X1.2ML:4548174013694

jan

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Green process chemistry in the pharmaceutical industry
Cue BW and Zhang J
Green Chemistry Letters and Reviews, 2(4), 193-211 (2009)
What is a green solvent? A comprehensive framework for the environmental assessment of solvents
Capello C, et al.
Green Chemistry, 9(9), 927-934 (2007)
?467? Residual Solvents
USP43/NF38: United States Pharmacopeia and National Formulary
United States Pharmacopeia/National Formulary, 45(3), 6712-6712 (2019)
A generic static headspace gas chromatography method for determination of residual solvents in drug substance.
Cheng, et al.
Journal of Chromatography A, 1217(41), 6413-6421 (2010)
Ross J Ellis et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 20(40), 12796-12807 (2014-08-30)
Combining experiment with theory reveals the role of self-assembly and complexation in metal-ion transfer through the water-oil interface. The coordinating metal salt Eu(NO3)3 was extracted from water into oil by a lipophilic neutral amphiphile. Molecular dynamics simulations were coupled to
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