Hexadecanal - Moligand™, ≥97%(GC) , CAS No.629-80-1

CAS: 629-80-1 Cat. No.: H134515 Molecular Weight: 240.43 Beilstein Registry Number: 1717 EC Number: 211-111-0

GRADE & PURITY Moligand™, ≥97%(GC)

Synonyms

SCHEMBL4481 | RB3019 | EINECS 211-111-0 | DB03381 | AKOS005145523 | AS-56311 | AI3-24252 | Palmitic aldehyde | N-HEXADECAN-1-AL | H1296 | WQD27655QE | Palmityl Aldehyde | 629-80-1 (unlabeled) | MFCD00055568 | 1-hexadecanal | Palmitaldehyde, 16-Hexadecanal

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL4481 | RB3019 | EINECS 211-111-0 | DB03381 | AKOS005145523 | AS-56311 | AI3-24252 | Palmitic aldehyde | N-HEXADECAN-1-AL | H1296 | WQD27655QE | Palmityl Aldehyde | 629-80-1 (unlabeled) | MFCD00055568 | 1-hexadecanal | Palmitaldehyde, 16-Hexadecanal

Specifications & Purity

Moligand™, ≥97%(GC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504750444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750444
• Canonical Smiles: CCCCCCCCCCCCCCCC=O
• IUPAC Name: hexadecanal
• InChIKey: NIOYUNMRJMEDGI-UHFFFAOYSA-N
• INCHI: 1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCC=O
• RTECS: ML8200000
• Molecular Weight: 240.43
• Beilstein: 1717
• Reaxy-Rn: 1772756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty aldehydes

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty aldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty aldehyde - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

LPL Tchem Lipoprotein lipase (101 Activities)

Discover Target: LPL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LIPG Tchem Endothelial lipase (1021 Activities)

Discover Target: LIPG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive;heat sensitive
• Boil Point(°C): 151°C/2mmHg
• Melt Point(°C): 33.0to38.0deg-C
• Molecular Weight: 240.420 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 240.245 Da
• Monoisotopic Mass: 240.245 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yushi Liu, Wan-Qiu Liu, Shuhui Huang, Huiling Xu, Haofan Lu, Changzhu Wu, Jian Li.  (2022)  Cell-free metabolic engineering enables selective biotransformation of fatty acids to value-added chemicals.  Metabolic Engineering Communications,      [PMID:36578475] [10.1016/j.mec.2022.e00217]

2. Youyou Yang, Jing Li, Jiangtao Xing, Weihai Xing, Chaohua Tang, Zhenghua Rao, Junmin Zhang.  (2022)  Untargeted Profiling and Differentiation of Volatiles in Varieties of Meat Using GC Orbitrap MS.  Foods,  11  (24): (3997).  [PMID:36553738] [10.3390/foods11243997]

3. Xiaojing Zhang, Pei Gao, Wenshui Xia, Qixing Jiang, Shaoquan Liu, Yanshun Xu.  (2022)  Characterization of key aroma compounds in low-salt fermented sour fish by gas chromatography-mass spectrometry, odor activity values, aroma recombination and omission experiments.  FOOD CHEMISTRY,      [PMID:35908468] [10.1016/j.foodchem.2022.133773]

4. Xiao Fang, Yanchun Shi, Kejing Wu, Junmei Liang, Yulong Wu, Mingde Yang.  (2017)  Upgrading of palmitic acid over MOF catalysts in supercritical fluid of n-hexane.  RSC Advances,  7  (64): (40581-40590).  [PMID:] [10.1039/C7RA07239B]

5. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107374]

6. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]

7. Honglin Li, Ya Chen, Yue Qiu.  (2025)  Oxytocin lipidation expanding therapeutics for long-term reversal of autistic behaviors in rats.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:39890086] [10.1016/j.ijpharm.2025.125299]

8. Xingtao Zhou, Xiaoyu Zhang, Haoran Hong, Junfan Lin, Yixun Xia, Ping Liu, Qin Xiang.  (2025)  Characterization of the key aroma compounds in Kung Pao chicken by molecular sensory science.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108488]

9. Zhiye Yan, Weiwei Tang, Bin Li.  (2025)  Expanding Metabolome Coverage in LC–MS/MS Analysis through Hydralazine-Based Multifunctional Derivatization.  ANALYTICAL CHEMISTRY,      [PMID:41277254] [10.1021/acs.analchem.5c02101]

10. Yue Qiu, Junxiong Lu, Yuxin Zhi, Jixuan Song, Wei Wang, Luyao Ren, Hualing Zhong, Zheyi Cheng, Fei Lyu.  (2025)  Sensomics-Based Analysis of Key Odorants Contributing to the Distinctive Odor in Hu Sheep Meat Tallow.  ACS Food Science & Technology,      [PMID:] [10.1021/acsfoodscitech.5c01063]