1,3-Adamantanediol - ≥99% , CAS No.5001-18-3

CAS: 5001-18-3 Cat. No.: A121783 Molecular Weight: 168.23 Beilstein Registry Number: 7013501 EC Number: 677-075-7
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
BBL012286 | 1,3-Adamantanediol | 1,3-adamantane-diol | SR-01000396850 | ?1,3-Adamantanediol | STK803145 | N-Butyl Alcohol,(S) | Z1509059210 | SCHEMBL424418 | 1,3-Dihydroxyadamantane | tricyclo[3.3.1.1~3,7~]decane-1,3-diol | AKOS016034998 | FT-0606540 | MF
Storage
Room temperature
Shipped In
Normal
Size
USA
Germany (EU)*
Price
Qty
5g
A121783-5g
4 In stock
$10.90
25g
A121783-25g
4 In stock
$34.90
100g
A121783-100g
5 In stock
$113.90
500g
A121783-500g
1 In stock
1 In stock
$457.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BBL012286 | 1, 3-Adamantanediol | 1, 3-adamantane-diol | SR-01000396850 | ?1, 3-Adamantanediol | STK803145 | N-Butyl Alcohol, (S) | Z1509059210 | SCHEMBL424418 | 1, 3-Dihydroxyadamantane | tricyclo[3.3.1.1~3, 7~]decane-1, 3-diol | AKOS016034998 | FT-0606540 | MF
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid504759321
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504759321
Canonical SmilesC1C2CC3(CC1CC(C2)(C3)O)O
IUPAC Nameadamantane-1,3-diol
InChIKeyMOLCWHCSXCKHAP-UHFFFAOYSA-N
INCHI1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
Isomeric SMILES C1C2CC3(CC1CC(C2)(C3)O)O
WGK Germany 3
Molecular Weight 168.23
Beilstein 7013501
Reaxy-Rn 2039954
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039954&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.

View datasheet →

🔬 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
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentTertiary alcohols
Alternative Parents Cyclic alcohols and derivatives  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic 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
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.

12 results found

Lot NumberCertificate TypeDateItem
H2204317Certificate of AnalysisMay 18, 2026 A121783
H2204320Certificate of AnalysisMay 18, 2026 A121783
J2109085Certificate of AnalysisJul 10, 2025 A121783
J2109086Certificate of AnalysisJul 10, 2025 A121783
L1920026Certificate of AnalysisOct 20, 2023 A121783
B2624346Certificate of AnalysisJun 30, 2022 A121783
E2312032Certificate of AnalysisJun 30, 2022 A121783
E2312034Certificate of AnalysisJun 30, 2022 A121783
E2312046Certificate of AnalysisJun 30, 2022 A121783
H2204318Certificate of AnalysisJun 30, 2022 A121783
H2204319Certificate of AnalysisJun 30, 2022 A121783
L2512026Certificate of AnalysisJun 30, 2022 A121783

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Chemical and Physical Properties
SolubilitySolubility in Methanol very faint turbidity
Flash Point(°C)158.5±13.6 °C
Boil Point(°C)320.4±10.0 °C
Melt Point(°C)258°C
Molecular Weight168.230 g/mol
XLogP30.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.115 Da
Monoisotopic Mass168.115 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity190.000
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
Documents & Articles
Citations of This Product
References
1. Guocai Wang, Shigui Tang, Fei Cao, Hongli Wu, Honghua Jia, Ping Wei, Pingkai Ouyang.  (2018)  Preparation of High Purity Lactide Using a High-Boiling-Point Alcohol Immobilization Method.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b01088]
Solution Calculators
Reviews

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