2-tert-Amylphenol - ≥98%(GC) , CAS No.3279-27-4

CAS: 3279-27-4 Cat. No.: T162417 Molecular Weight: 164.25 Beilstein Registry Number: 6(4)3383 EC Number: 221-916-9 PubChem CID: 76769
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
EINECS 221-916-9 | Phenol, 2-(1,1-dimethylpropyl)- | 2-tert-Amylphenol | 7UC9VC5QI6 | O-TERT-PENTYLPHENOL | AS-81257 | SCHEMBL77491 | UNII-7UC9VC5QI6 | 2-(1,1-Dimethylpropyl)phenol | 2-(1,1-dimethyl-propyl)-phenol | 2-(Tert-pentyl)phenol | 2-tert-Pentylph
Storage
Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T162417-1g
1
$9.90
5g
T162417-5g
1
$21.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged 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.

Specifications

Synonyms
EINECS 221-916-9 | Phenol, 2-(1, 1-dimethylpropyl)- | 2-tert-Amylphenol | 7UC9VC5QI6 | O-TERT-PENTYLPHENOL | AS-81257 | SCHEMBL77491 | UNII-7UC9VC5QI6 | 2-(1, 1-Dimethylpropyl)phenol | 2-(1, 1-dimethyl-propyl)-phenol | 2-(Tert-pentyl)phenol | 2-tert-Pentylph
Specifications & Purity
≥98%(GC)
Storage
Room temperature, Argon charged
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Canonical SmilesCCC(C)(C)C1=CC=CC=C1O
IUPAC Name2-(2-methylbutan-2-yl)phenol
InChIKeyBGRKGHSKCFAPCL-UHFFFAOYSA-N
INCHI1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3
Isomeric SMILES CCC(C)(C)C1=CC=CC=C1O
PubChem CID 76769
Molecular Weight 164.25
Beilstein 6(4)3383
Reaxy-Rn 1864028

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylpropanes
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanes
Alternative Parents 1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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 TypeDateItem
L2423154Certificate of AnalysisDec 18, 2024 T162417
L2423155Certificate of AnalysisDec 18, 2024 T162417
L2423300Certificate of AnalysisDec 18, 2024 T162417
L2423301Certificate of AnalysisDec 18, 2024 T162417
G2429058Certificate of AnalysisMay 22, 2024 T162417
Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.52
Flash Point(°C)111 °C
Boil Point(°C)92°C/4mmHg(lit.)
Molecular Weight164.240 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass164.12 Da
Monoisotopic Mass164.12 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count12
Formal Charge0
Complexity140.000
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
Solution Calculators
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