Sabinene hydrate - ≥97% , CAS No.546-79-2

CAS: 546-79-2 Cat. No.: S335076 Molecular Weight: 154.25 EC Number: 208-911-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)- | 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol | 4-Thujanol | 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol | cis-4-thujanol
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
S335076-50mg
1
$39.90
250mg
S335076-250mg
2

$105.90

$123.90
Save $18.00 (14.53%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,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
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)- | 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol | 4-Thujanol | 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol | cis-4-thujanol
Specifications & Purity
≥97%
Storage
Protected from light, Room temperature, Argon charged
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)C12CCC(C1C2)(C)O
IUPAC Name2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
InChIKeyKXSDPILWMGFJMM-UHFFFAOYSA-N
INCHI1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
Isomeric SMILES CC(C)C12CCC(C1C2)(C)O
Molecular Weight 154.25

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
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassMonoterpenoids
Intermediate Tree Nodes Not available
Direct ParentBicyclic monoterpenoids
Alternative Parents Tertiary alcohols  Cyclic alcohols and derivatives  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Bicyclic monoterpenoid - Thujane monoterpenoid - Tertiary alcohol - Cyclic alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors a small molecule
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
A2613096Certificate of AnalysisAug 13, 2024 S335076
J2409802Certificate of AnalysisAug 13, 2024 S335076
J2409806Certificate of AnalysisAug 13, 2024 S335076
J2409807Certificate of AnalysisAug 13, 2024 S335076
J2409824Certificate of AnalysisAug 13, 2024 S335076
Chemical and Physical Properties
Sensitivitylight & air sensitive
Specific Rotation[α]α20/D +31.5°±2°, c = 1% in ethanol
Melt Point(°C)58-62° C
Molecular Weight154.250 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.136 Da
Monoisotopic Mass154.136 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity187.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
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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