6,6-Dimethyl-1-hepten-4-yn-3-ol

About 6,6-Dimethyl-1-hepten-4-yn-3-ol

6,6-Dimethyl-1-hepten-4-yn-3-ol is an impurity of Terbinafine carrying the CAS registry number 78629-20-6. Formula C9H14O, molecular weight 138.21 g/mol. Its systematic (IUPAC) name is 6,6-dimethylhept-1-en-4-yn-3-ol. It is also known as 3-hydroxy-6,6-dimethyl-1-heptene-4-yne or 3-Hydroxy-6,6-dimethyl-1-hepten-4-yne.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

As a characterised impurity of Terbinafine, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 6,6-Dimethyl-1-hepten-4-yn-3-ol is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Terbinafine

View every impurity, metabolite and intermediate we list for Terbinafine.

Terbinafine impurities

Specifications & identifiers

Chemical identifiers
Product name	6,6-Dimethyl-1-hepten-4-yn-3-ol
Catalogue No.	VQ-032393
CAS Number	78629-20-6
IUPAC name	6,6-dimethylhept-1-en-4-yn-3-ol
Molecular formula	C₉H₁₄O
Molecular weight	138.21 g/mol
Exact mass	138.1045
Grade	Reference Standard
HSN code	38229090
InChIKey	MOWPBNFGGOHZRW-UHFFFAOYSA-N
SMILES	CC(C)(C)C#CC(C=C)O
PubChem CID	10975561

Physical properties
Physical form	Solid
LogP (XLogP3)	2.3
H-bond donors / acceptors	1 / 1
TPSA	20.2 Å²
Synonyms	3-hydroxy-6,6-dimethyl-1-heptene-4-yne, 3-Hydroxy-6,6-dimethyl-1-hepten-4-yne, 1-Hepten-4-yn-3-ol, 6,6-dimethyl-, 3-hydroxy-6,6-dimethylhept-1-ene-4-yne, 6,6-dimethyl-1-heptene-4-yn-3-ol, 6,6-dimethyl-hept-1-en-4-yn-3-ol, 3-hydroxy-6,6-dimethyl-hept-1-ene-4-yne, 3-hydroxy-6,6-dimethylhept-1 -ene-4-yne, 6,6-Dimethylhept-1-en-4-yn-3-ol, stab. with MEHQ

Safety & hazard information (GHS)

Harmful / irritant

Health hazard

Environmental hazard

Signal word: Warning

Hazard statements

H227Combustible liquid
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H317May cause an allergic skin reaction
H320Causes eye irritation
H332Harmful if inhaled
H373May causes damage to organs through prolonged or repeated exposure
H400Very toxic to aquatic life
H401Toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
H411Toxic to aquatic life with long lasting effects

Precautionary statements: P210, P260, P261, P264, P264 + P265, P270, P271, P272, P273, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P319, P321, P330, P332 + P317, P333 + P317, P337 + P317, P362 + P364, P370 + P378, P391

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 6,6-Dimethyl-1-hepten-4-yn-3-ol?

The CAS Registry Number of 6,6-Dimethyl-1-hepten-4-yn-3-ol is 78629-20-6. It is also known as 3-hydroxy-6,6-dimethyl-1-heptene-4-yne, 3-Hydroxy-6,6-dimethyl-1-hepten-4-yne, 1-Hepten-4-yn-3-ol, 6,6-dimethyl-.

What is the molecular formula and molecular weight of 6,6-Dimethyl-1-hepten-4-yn-3-ol?

6,6-Dimethyl-1-hepten-4-yn-3-ol has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6,6-dimethylhept-1-en-4-yn-3-ol.

What is 6,6-Dimethyl-1-hepten-4-yn-3-ol used for?

6,6-Dimethyl-1-hepten-4-yn-3-ol is supplied as a characterised reference material related to Terbinafine. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 6,6-Dimethyl-1-hepten-4-yn-3-ol can I order?

We supply 6,6-Dimethyl-1-hepten-4-yn-3-ol in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 6,6-Dimethyl-1-hepten-4-yn-3-ol?

Yes. Every lot of 6,6-Dimethyl-1-hepten-4-yn-3-ol is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 6,6-Dimethyl-1-hepten-4-yn-3-ol be shipped internationally?

Yes. 6,6-Dimethyl-1-hepten-4-yn-3-ol is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.