3-Ethyl-3-pentanol - ≥95% , CAS No.597-49-9

CAS: 597-49-9 Cat. No.: E665450 Formule: C7H16O Poids moléculaire: 116.2 Beilstein Registry Number: 1731640 Numéro CE: 209-902-0
DISPONIBLE À COMMANDE
GRADE & PURITY ≥95%
Synonyms
tert-Heptanol | tert-Heptyl Alcohol | Triethylcarbinol | Triethylmethyl Alcohol | tert-Heptanol | tert-Heptyl Alcohol | Triethylcarbinol | Triethylmethyl Alcohol
Storage
Room temperature
Shipped In
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
5ml
E665450-5ml
—
3 En stock
27,68€
25ml
E665450-25ml
—
2 En stock
121,40€
100ml
E665450-100ml
—
2 En stock
344,41€
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

Product Application:
3-Ethyl-3-pentanol was used to study the effect of alkanols on the micropolarity and microviscosity of the head group region, in the reverse micelles of AOT-heptane-water by fluorescence probing. 3-Ethyl-3-pentanols were encapsulated in the hexamers of resorcin[4]arenes.

Specifications

Synonymes
tert-Heptanol | tert-Heptyl Alcohol | Triethylcarbinol | Triethylmethyl Alcohol | tert-Heptanol | tert-Heptyl Alcohol | Triethylcarbinol | Triethylmethyl Alcohol
Spécifications et pureté
≥95%
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Pureté
≥95%
Noms et identifiants
Pubchem Sid508808806
Sourires canoniquesCCC(CC)(CC)O
IUPAC Name3-ethylpentan-3-ol
InChIKeyXKIRHOWVQWCYBT-UHFFFAOYSA-N
INCHI1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3
Isomères SMILES CCC(CC)(CC)O
WGK Allemagne 3
RTECS SA6780000
Numéro ONU 1987
Groupe d'emballage III
Poids moléculaire 116.2
Beilstein 1731640
Reaxy-Rn 1731643
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731643&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentTertiary alcohols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateArticle
A2616049Certificate of AnalysisMay 15, 2024 E665450
D2610044Certificate of AnalysisMay 15, 2024 E665450
E2409194Certificate of AnalysisMay 15, 2024 E665450
E2409195Certificate of AnalysisMay 15, 2024 E665450
E2409196Certificate of AnalysisMay 15, 2024 E665450
Propriétés chimiques et physiques
SolubilitéSlightly soluble in water. Soluble in alcohol.
Indice de réfraction1.43
Point d'éclair (°F)100.4 °F
Point d'éclair (°C)40°C(lit.)
Point d'ébullition (°C)143°C
Point de fusion (°C)-13°C
Poids moléculaire116.200 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass116.12 Da
Monoisotopic Mass116.12 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity47.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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