3-Hydroxybenzaldehyde - ≥97% , CAS No.100-83-4

CAS: 100-83-4 Cat. No.: H104163 Molecular Weight: 122.12 Beilstein Registry Number: 507099 EC Number: 202-892-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
(3-hydroxyphenyl)methanone | 3-hydroxy benzoaldehyde | AI3-12120 | SY001091 | SB40492 | 3-oxidanylbenzaldehyde | Z57772446 | (3-hydroxyphenyl) formaldehyde | P17108 | STK199259 | H0197 | NSC 3504 | FT-0615830 | NSC3504 | NSC-3504 | 3-hydroxylbenzaldehyde
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10g
H104163-10g
1
$9.90
25g
H104163-25g
7
$10.90
100g
H104163-100g
9

$18.90

$28.90
Save $10.00 (34.60%)
500g
H104163-500g
1

$68.90

$103.90
Save $35.00 (33.69%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Argon charged,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 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

application:

3-Hydroxybenzaldehyde can be used as a reactant along with ethyl acetoacetate and thiourea in the synthesis of corresponding dihydropyrimidine-2-thione (monastrol), using Yb(OTf)3 as a catalyst by Biginellicyclocondensation reaction.

It can also be used as a starting material for the synthesis of:

(-)-Quinocarcin, isoxazolo[3,4-e][2,1]benzisoxazole and 3-n-propylphenol.

Oligo-3-hydroxybenzaldehyde (O-3HBA) by oxidative polycondensation.

Specifications

Synonyms
(3-hydroxyphenyl)methanone | 3-hydroxy benzoaldehyde | AI3-12120 | SY001091 | SB40492 | 3-oxidanylbenzaldehyde | Z57772446 | (3-hydroxyphenyl) formaldehyde | P17108 | STK199259 | H0197 | NSC 3504 | FT-0615830 | NSC3504 | NSC-3504 | 3-hydroxylbenzaldehyde
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488179488
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179488
Canonical SmilesC1=CC(=CC(=C1)O)C=O
IUPAC Name3-hydroxybenzaldehyde
InChIKeyIAVREABSGIHHMO-UHFFFAOYSA-N
INCHI1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
Isomeric SMILES C1=CC(=CC(=C1)O)C=O
WGK Germany 3
RTECS CU6450000
Molecular Weight 122.12
Beilstein 507099
Reaxy-Rn 507099
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507099&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
SubclassCarbonyl compounds
Intermediate Tree Nodes Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct ParentHydroxybenzaldehydes
Alternative Parents Benzoyl derivatives  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MPO Tchem Myeloperoxidase (1002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meloidogyne incognita (862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C6 (2371 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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.

20 results found

Lot NumberCertificate TypeDateItem
G2405281Certificate of AnalysisApr 02, 2026 H104163
G2405282Certificate of AnalysisApr 02, 2026 H104163
C2619112Certificate of AnalysisApr 02, 2026 H104163
F2612122Certificate of AnalysisApr 02, 2026 H104163
E2223110Certificate of AnalysisNov 13, 2025 H104163
E2223111Certificate of AnalysisNov 13, 2025 H104163
E2223112Certificate of AnalysisNov 13, 2025 H104163
E2223113Certificate of AnalysisNov 13, 2025 H104163
K2327222Certificate of AnalysisSep 04, 2025 H104163
G2504071Certificate of AnalysisJul 15, 2025 H104163
B2519031Certificate of AnalysisFeb 21, 2025 H104163
D2314077Certificate of AnalysisJan 16, 2025 H104163
D2314076Certificate of AnalysisJan 16, 2025 H104163
J2409025Certificate of AnalysisOct 14, 2024 H104163
G2405283Certificate of AnalysisApr 25, 2024 H104163
L2102495Certificate of AnalysisSep 18, 2023 H104163
L2102494Certificate of AnalysisJul 25, 2023 H104163
E2129164Certificate of AnalysisMar 10, 2023 H104163
E2129163Certificate of AnalysisMar 10, 2023 H104163
F23061566Certificate of AnalysisFeb 26, 2022 H104163

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Chemical and Physical Properties
SolubilitySoluble in DMSO and Methanol
SensitivityLight & Air Sensitive
Boil Point(°C)240°C
Melt Point(°C)108°C
Molecular Weight122.120 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.037 Da
Monoisotopic Mass122.037 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count9
Formal Charge0
Complexity101.000
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. Tao Sun, Qinjun Chen, Zheng Zhou, Chao Li, Teng Yu, Chen Jiang.  (2023)  A chemiluminescent reporter assisted by in-situ neutrophils for imaging O2− at inflammatory sites.  JOURNAL OF CONTROLLED RELEASE,      [PMID:37100207] [10.1016/j.jconrel.2023.04.035]
2. Shuzhen Yang, Min He, Dongmei Li, John Shi, Litao Peng, Liu Jinjing.  (2023)  Antifungal activity of 40 plant essential oil components against Diaporthe fusicola from postharvest kiwifruits and their possible action mode.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.116102]
3. Pan-Pan Zhao, Cong Deng, Ze-Yong Zhao, Xing-Yu Li, Hong Chen, Yu-Zhong Wang.  (2021)  Benzaldehyde decorated octadecylamine for tailor-made molecular firefighting and efficient thermal energy management.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.133480]
4. Zhen-Long Wu, Di Shi, Li Huang, Wen-Ying He, Xiang-Ying Sun, Bin Liu, Jiang-Shan Shen.  (2018)  Highly selective and sensitive turn-on fluorescent probes for sensing Hg2+ ions in mixed aqueous solution.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.10.108]
5. Guanfan Chen, Mengzhuo Tang, Xiufang Fu, Fenmin Cheng, Xianghua Zou, Jingpei Wang, Rongjin Zeng.  (2017)  A highly sensitive and selective fluorescent sensor for detection of sulfide anion based on the steric hindrance effect.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2017.08.049]
6. Xiaoli Wu, Chunlei Dong, Alvianto Wirasaputra, Haohao Huang, Shumei Liu, Jianqing Zhao, Yi Fu.  (2017)  Imparting high flame retardancy to epoxy resin with ultra-low loading of 5,10-dihydro-phenophosphazine-10-oxide functioned triazine.  HIGH PERFORMANCE POLYMERS,      [PMID:] [10.1177/0954008317723083]
7. Cheng Hao, Wu Shubin, Huang Jinbao, Zhang Xiaohua.  (2017)  Direct evidence from in situ FTIR spectroscopy that o-quinonemethide is a key intermediate during the pyrolysis of guaiacol.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (10): (2531-2537).  [PMID:28188351] [10.1007/s00216-017-0194-0]
8. Junsu Jin, Jiarong Sang, Xing Fan, Chengwei Chang, Hao Wu.  (2015)  Solubilities of hydroxybenzaldehyde isomers and their mixture in subcritical 1,1,1,2-tetrafluoroethane.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2015.11.027]
9. Hao Wu, Jing Zhu, Yiwei Wang, Chengwei Chang, Junsu Jin.  (2015)  Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2015.10.012]
10. Feng Yu, Yu-Long Jia, Hui-Fang Wang, Jing Zheng, Yi Cui, Xin-Yu Fang, Lin-Min Zhang, Qing-Xi Chen.  (2015)  Synthesis of Triazole Schiff’s Base Derivatives and Their Inhibitory Kinetics on Tyrosinase Activity.  PLoS One,  10  (9): (e0138578).  [PMID:26422245] [10.1371/journal.pone.0138578]
11. Jie Shen, Ying Zhang, Wenqiu Chen, Wenhao Wang, Zushun Xu, Kelvin W. K. Yeung, Changfeng Yi.  (2013)  Synthesis and properties of hyperbranched polyimides derived from novel triamine with prolonged chain segments.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  51  (11): (2425-2437).  [PMID:] [10.1002/pola.26628]
12. Wanting Li, Xilang Jin, Xuehao Ma, Bin Huang, Xinyu Zhang, Xiao Li, Qingfa Si, Weixing Chen.  (2025)  Facial preparation strategy of high-efficiency carbon dots-based anti-ultraviolet and anti-blue light shielding film and its application in LED.  Materials Science and Engineering B-Advanced Functional Solid-State Materials,      [PMID:] [10.1016/j.mseb.2025.117978]
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