1,2-Dodecanediol - ≥93%(GC) , CAS No.1119-87-5

CAS: 1119-87-5 Cat. No.: D156002 Molecular Weight: 202.34 Beilstein Registry Number: 1700180 EC Number: 214-289-8

GRADE & PURITY ≥93%(GC)

Synonyms

SCHEMBL135220 | EINECS 214-289-8 | NSC 25930 | 1,2-Dodecanediol(Flakes or Chunks) | 19-Nor-1,25-(OH)2D2 | Cidoxepin hydrochloride [USAN] | racemic 1,2-dodecanediol | 1,2-Dihydroxydodecane | D1861 | W-109645 | EMM0U4H102 | LAURYL GLYCOL [INCI] | 1,2-Dodeca

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL135220 | EINECS 214-289-8 | NSC 25930 | 1, 2-Dodecanediol(Flakes or Chunks) | 19-Nor-1, 25-(OH)2D2 | Cidoxepin hydrochloride [USAN] | racemic 1, 2-dodecanediol | 1, 2-Dihydroxydodecane | D1861 | W-109645 | EMM0U4H102 | LAURYL GLYCOL [INCI] | 1, 2-Dodeca

Specifications & Purity

≥93%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 488186734
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186734
• Canonical Smiles: CCCCCCCCCCC(CO)O
• IUPAC Name: dodecane-1,2-diol
• InChIKey: ZITKDVFRMRXIJQ-UHFFFAOYSA-N
• INCHI: 1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3
• Isomeric SMILES: CCCCCCCCCCC(CO)O
• WGK Germany: 1
• Molecular Weight: 202.34
• Beilstein: 1700180
• Reaxy-Rn: 1700179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700179&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Melt Point(°C): 58 °C
• Molecular Weight: 202.330 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193 Da
• Monoisotopic Mass: 202.193 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Qingwen Dong, Xu Li, Jinxiang Dong.  (2021)  Synthesis and properties of ethoxylated vicinal diol nonionic surfactants with double hydrophilic head groups.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.127971]

2. Fan Kai, Lu Chengying, Shu Gaofeng, Lv Xiu-Ling, Qiao Enqi, Zhang Nannan, Chen Minjiang, Song Jingjing, Wu Fazong, Zhao Zhongwei, Xu Xiaoling, Xu Min, Chen Chunmiao, Yang Weibin, Sun Jihong, Du Yongzhong, Ji Jiansong.  (2021)  Sialic acid-engineered mesoporous polydopamine dual loaded with ferritin gene and SPIO for achieving endogenous and exogenous synergistic T2-weighted magnetic resonance imaging of HCC.  JOURNAL OF NANOBIOTECHNOLOGY,  19  (1): (1-17).  [PMID:33731140] [10.1186/s12951-021-00821-8]

3. Gaofeng Shu, Minjiang Chen, Jingjing Song, Xiaoling Xu, Chenying Lu, Yuyin Du, Min Xu, Zhongwei Zhao, Minxia Zhu, Kai Fan, Xiaoxi Fan, Shiji Fang, Bufu Tang, Yiyang Dai, Yongzhong Du, Jiansong Ji.  (2020)  Sialic acid-engineered mesoporous polydopamine nanoparticles loaded with SPIO and Fe3+ as a novel theranostic agent for T1/T2 dual-mode MRI-guided combined chemo-photothermal treatment of hepatic cancer.  Bioactive Materials,      [PMID:33210034] [10.1016/j.bioactmat.2020.10.020]

4. Yijue Wang, Liqing Zou, Zhe Qiang, Jianhai Jiang, Zhengfei Zhu, Jie Ren.  (2020)  Enhancing Targeted Cancer Treatment by Combining Hyperthermia and Radiotherapy Using Mn–Zn Ferrite Magnetic Nanoparticles.  ACS Biomaterials Science & Engineering,      [PMID:33463170] [10.1021/acsbiomaterials.0c00287]

5. Yining Jiang, Ziyang Qiu, Siyang Deng, Han Yan, Xiao Song, Qian Chen, Liping Ruan.  (2024)  Study on the Preparation of Core–Shell Carbon-Based Absorbing Materials with a Small Particle Size of Fe3O4.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c03128]

6. Hang Ye, Chen Qiu, Long Ni, Ke Yang, Hongbin Tian, Xinyang Luo, Mei Liang, Shengtai Zhou, Yinfu Luo, Huawei Zou.  (2025)  Development of multi-functional rigid polyurethane foam with thermal insulation, mechanical and vibration damping properties through molecular chain design.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129115]

7. Ziling Chang, Yuxiang Yang, Bo Zhao, Huafei Li, Yuxia Guan, Yi Zhao, Hongming Yuan, Chaoying Ni.  (2022)  Dual-targeting magnetic fluorescent mesoporous organosilicon hollow nanospheres for gambogic acid loading, sustained release and anti-tumor properties.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2022.119412]

8. Liang Huang, Tian Tian, Ying Zhang, Yuting Liao, Jing Wang.  (2024)  Controllable synthesis of sandwich-type magnetic beads for procalcitonin detection on a magnetic enzyme-linked immunosorbent assay.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.110114]