3-Methyl-2-buten-1-ol - ≥98% , CAS No.556-82-1

CAS: 556-82-1 Cat. No.: M106454 Molecular Weight: 86.13 Beilstein Registry Number: 1633479 EC Number: 209-141-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
3-Methyl-2-buten-1-ol, >=98%, FG | NCGC00257241-01 | s3123 | ISOPENT-2-EN-1-OL | 3-Methyl-2-buten-1-ol, 99% | 3-Methyl-2-butene-1-ol | MFCD00002916 | CAS-556-82-1 | InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H | .gamma.,.gamma.-Dimethylallyl alcohol | FT-06
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25ml
M106454-25ml
7
$16.90
100ml
M106454-100ml
9
$22.90
500ml
M106454-500ml
3
$80.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% 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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-Methyl-2-buten-1-ol, >=98%, FG | NCGC00257241-01 | s3123 | ISOPENT-2-EN-1-OL | 3-Methyl-2-buten-1-ol, 99% | 3-Methyl-2-butene-1-ol | MFCD00002916 | CAS-556-82-1 | InChI=1/C5H10O/c1-5(2)3-4-6/h3, 6H, 4H2, 1-2H | .gamma., .gamma.-Dimethylallyl alcohol | FT-06
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181280
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181280
Canonical SmilesCC(=CCO)C
IUPAC Name3-methylbut-2-en-1-ol
InChIKeyASUAYTHWZCLXAN-UHFFFAOYSA-N
INCHI1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
Isomeric SMILES CC(=CCO)C
WGK Germany 1
RTECS EM9472500
UN Number 1987
Molecular Weight 86.13
Beilstein 1633479
Reaxy-Rn 741871
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741871&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 ParentPrimary alcohols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
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.

15 results found

Lot NumberCertificate TypeDateItem
I2423378Certificate of AnalysisJun 15, 2026 M106454
K2208228Certificate of AnalysisJun 08, 2026 M106454
K2208229Certificate of AnalysisJun 08, 2026 M106454
K2208230Certificate of AnalysisJun 08, 2026 M106454
K2208231Certificate of AnalysisJun 08, 2026 M106454
F2516072Certificate of AnalysisJun 25, 2025 M106454
D2318287Certificate of AnalysisJan 06, 2025 M106454
D2318270Certificate of AnalysisJan 06, 2025 M106454
I2423377Certificate of AnalysisJun 26, 2024 M106454
K1921131Certificate of AnalysisAug 07, 2023 M106454
H2125325Certificate of AnalysisMay 15, 2023 M106454
H2125333Certificate of AnalysisMay 15, 2023 M106454
H2125334Certificate of AnalysisMay 15, 2023 M106454
H2125348Certificate of AnalysisMay 15, 2023 M106454
D1917050Certificate of AnalysisNov 11, 2022 M106454

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Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.442-1.444
Flash Point(°F)43℃
Flash Point(°C)43℃
Boil Point(°C)140°C
Molecular Weight86.130 g/mol
XLogP31.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass86.0732 Da
Monoisotopic Mass86.0732 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count6
Formal Charge0
Complexity51.000
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
Citations of This Product
References
1. Yujiao Cheng, Leng Han, Linhua Huang, Xiang Tan, Houjiu Wu, Guijie Li.  (2023)  Association between flavor composition and sensory profile in thermally processed mandarin juices by multidimensional gas chromatography and multivariate statistical analysis.  FOOD CHEMISTRY,      [PMID:37030207] [10.1016/j.foodchem.2023.136026]
2. Cong Qiu, Yang Liu, Yangbao Wu, Linguo Zhao, Jianjun Pei.  (2022)  Functional Characterization and Screening of Promiscuous Kinases and Isopentenyl Phosphate Kinases for the Synthesis of DMAPP via a One-Pot Enzymatic Cascade.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  23  (21): (12904).  [PMID:36361694] [10.3390/ijms232112904]
3. Cong Qiu, Yang Liu, Yangbao Wu, Linguo Zhao, Jianjun Pei.  (2021)  Biochemical Characterization of a Novel Prenyltransferase from Streptomyces sp. NT11 and Development of a Recombinant Strain for the Production of 6-Prenylnaringenin.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34793146] [10.1021/acs.jafc.1c06094]
4. Fen Xue, Yabin Zhang, Fengwei Zhang, Xiaomin Ren, Hengquan Yang.  (2017)  Tuning the Interfacial Activity of Mesoporous Silicas for Biphasic Interface Catalysis Reactions.  ACS Applied Materials & Interfaces,      [PMID:28195458] [10.1021/acsami.6b16605]
5. Qianchun Zhang, Xixi Long, Shan Tang, Li Jiang, Zhaoru Ban, Yanju Chen, Runkun Zhang.  (2024)  Enhanced Cataluminescence Sensor Based on SiO2/MIL-53(Al) for Detecting Isobutylaldehyde.  MOLECULES,      [PMID:39064866] [10.3390/molecules29143287]
6. Yujiao Cheng, Min Zhang, Leng Han, Guijie Li, Min Hong, Hua Wang, Houjiu Wu, Linhua Huang.  (2025)  Investigating the influence of insoluble pulp particles on flavor retention and characterization of freshly squeezed and pasteurized mandarin juice.  FOOD RESEARCH INTERNATIONAL,      [PMID:40263853] [10.1016/j.foodres.2025.116237]
7. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang.  (2024)  Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c02931]
8. Li Guangjian, Liang Hui, Gao Ruichen, Qin Ling, Xu Pei, Huang Mingtao, Zong Min-Hua, Cao Yufei, Lou Wen-Yong.  (2024)  Yeast metabolism adaptation for efficient terpenoids synthesis via isopentenol utilization.  Nature Communications,  15  (1): (1-12).  [PMID:39537637] [10.1038/s41467-024-54298-8]
9. Kefa Hu, Zhipeng Qi, Xiaode Huang, Lei Wang, Xiaomeng Zhang, Shaoheng Tang.  (2026)  De novo biosynthesis of lavandulol and lavandulyl acetate in Escherichia coli.  JOURNAL OF BIOTECHNOLOGY,      [PMID:41619942] [10.1016/j.jbiotec.2026.01.014]
10. Guangjian Li, Pan Li, Zhiyao Wang, Jiayan Lyu, Mei Li, Pengsheng Yang, Jingwen Zhou, Yufei Cao, Wen-Yong Lou.  (2026)  Rewiring prenyl donor supply for orthogonal synthesis of prenylated compounds in yeast.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173977]
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