Aprepitant Impurity 19

Basic Information

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CAS Number

78-69-3

Molecular Formula

C10H22O

Molecular Weight

158.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-1.53°C (estimate)

Boiling Point

196°C

Density

0.826 g/mL at 25 °C

Refractive Index

n20/D 1.434(lit.)

SMILES

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CCC(C)(O)CCCC(C)C

InChI

InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3

InChIKey

DLHQZZUEERVIGQ-UHFFFAOYSA-N

LogP

2.973700000000002

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3,7-Dimethyloctan-3-ol
3,7-Dimethyl-3-octanol
Tetrahydrolinalool
TETRAHYDROLINALOOL(AS)
(+/-)-tetrahydrolinalool
1-bromo-3-hydroxy-3,7-dimethyloctan
2,6-Dimethyl-6-octanol
3,7-dimethyl-3-octano
3,7-Dimethyloctanol-3
3-OH-3,7-dimethyloctane
AcetobroMo-α-D-glucose
FEMA 3060
Linalool tetrahydride
Tetrahydrolimalool
tetrahydrolinalol
3-Octanol, 3,7-dimethyl-
FEMA No. 3060
(1)-3,7-Dimethyloctan-3-ol
DLHQZZUEERVIGQ-UHFFFAOYSA-N
DSSTox_CID_9110
DSSTox_RID_78670
DSSTox_GSID_29110
TETRAHYDRO LINALOOL
Tetrahydrol Linalool
NSC128151
3-Octanol,7-dimethyl-

MDL Number

MFCD00004482

Customs Code

29051990

FAQ

What is Aprepitant Impurity 19 (CAS: 78-69-3)?

Aprepitant Impurity 19, with the CAS number 78-69-3, is a chemical compound identified as an impurity in the pharmaceutical drug aprepitant. It has the molecular formula C19H27NO3 and is a white to pale yellow solid at room temperature. This compound is typically used in the quality control of aprepitant to ensure purity and safety in pharmaceutical manufacturing.

What are the main uses of Aprepitant Impurity 19 (CAS: 78-69-3)?

Aprepitant Impurity 19 is primarily used in pharmaceutical research and development for the identification and quantification of impurities in aprepitant. It also plays a role in analytical testing to meet regulatory standards and ensure the safety and efficacy of the final drug product. Its use is limited to controlled laboratory environments and not for industrial or consumer applications.

Is Aprepitant Impurity 19 (CAS: 78-69-3) safe?

Aprepitant Impurity 19 is not intended for use in humans and should be handled with care in laboratory settings. While it is generally considered safe when used properly, exposure may require protective measures such as gloves and ventilation. Safety standards for handling this compound are typically outlined in chemical safety data sheets (SDS) and are in line with OSHA and EPA guidelines for chemical handling.

How should Aprepitant Impurity 19 (CAS: 78-69-3) be stored?

Aprepitant Impurity 19 should be stored in a cool, dry, and dark place at a temperature between 2-8°C. It is recommended to keep it in a sealed container to prevent moisture and contamination. Avoid exposure to direct light and ensure proper labeling to maintain stability and safety during storage.