2-n-Octyl-1-dodecanol - ≥90%(GC) , CAS No.5333-42-6

CAS: 5333-42-6 Cat. No.: N159239 Formula: C₂₀H₄₂O Molecular Weight: 298.56 EC Number: 226-242-9

GRADE & PURITY ≥90%(GC)

Synonyms

3-01-00-01844 (Beilstein Handbook Reference) | MFCD01310428 | O0429 | Kalcohl 200G | Standamul G | Tox21_112351_1 | Octyldodecanol [NF] | Tox21_112351 | A870757 | Isofol 20 | OCTYLDODECANOL [USP-RS] | Q27258886 | BP-30229 | EC 226-242-9 | OCTYLDODECANOL [

Storage

Room temperature

Shipped In

Normal

Overview

2-Octyl-1-dodecanol is a branched alcohol.
Usually used to investigate its interaction with the hexameric capsules of resorcin[4]arene,and also used as diluent in a extractant screening study for the recovery of putrescine (butylene-1,4-diamine, BDA) and cadaverine (pentylene-1,5-diamine, PDA) from aqueous solutions (fermentation broths) by liquid-liquid extraction.

Specifications

Synonyms

3-01-00-01844 (Beilstein Handbook Reference) | MFCD01310428 | O0429 | Kalcohl 200G | Standamul G | Tox21_112351_1 | Octyldodecanol [NF] | Tox21_112351 | A870757 | Isofol 20 | OCTYLDODECANOL [USP-RS] | Q27258886 | BP-30229 | EC 226-242-9 | OCTYLDODECANOL [

Specifications & Purity

≥90%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 488182691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182691
• Canonical Smiles: CCCCCCCCCCC(CCCCCCCC)CO
• IUPAC Name: 2-octyldodecan-1-ol
• InChIKey: LEACJMVNYZDSKR-UHFFFAOYSA-N
• INCHI: 1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCC(CCCCCCCC)CO
• Molecular Weight: 298.56
• Reaxy-Rn: 1763479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763479&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - 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

Associated Targets(Human)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

• Refractive Index: 1.45
• Flash Point(°F): 370.4 °F
• Flash Point(°C): 113°C(lit.)
• Boil Point(°C): 161°C/0.3mmHg(lit.)
• Melt Point(°C): -1~ 1 °C
• Molecular Weight: 298.500 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 298.324 Da
• Monoisotopic Mass: 298.324 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 179.000
• 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. Shuo Wang, Tian Liu, Yuetong Huang, Chaoying Du, Danping Wang, Xiyan Wang, Qingzhi Lv, Zhonggui He, Yinglei Zhai, Bingjun Sun, Jin Sun.  (2023)  The effect of lengths of branched-chain fatty alcohols on the efficacy and safety of docetaxel-prodrug nanoassemblies.  Acta Pharmaceutica Sinica B,      [PMID:38486988] [10.1016/j.apsb.2023.09.017]

2. Hezhen Xu, Shiyi Zuo, Danping Wang, Yu Zhang, Wenxiao Li, Lingxiao Li, Tian Liu, Yuanhao Yu, Qingzhi Lv, Zhonggui He, Jin Sun, Bingjun Sun.  (2023)  Cabazitaxel prodrug nanoassemblies with branched chain modifications: Narrowing the gap between efficacy and safety.  JOURNAL OF CONTROLLED RELEASE,      [PMID:37451544] [10.1016/j.jconrel.2023.07.012]

3. Hongyu Chen, Mingshuo Liu, Jianing Wang, Yunfei Wang, Yajuan Wang, Wenyan Liu.  (2023)  Stability and spectroscopic analysis of CsPbBr3 quantum dots modified with 2-n-octyl-1-dodecanol.  Analytical Methods,  15  (27): (3318-3324).  [PMID:37381731] [10.1039/D3AY00542A]

4. Jiayu Guo, Xiaoxiao Zhang, Fudan Dong, Simeng Wang, Danping Wang, Yaqiao Li, Shiyi Zuo, Qing Wang, Wenxiao Li, Jin Sun, Zhonggui He, Tianhong Zhang, Qikun Jiang, Bingjun Sun.  (2024)  Revealing the impact of modified modules flexibility on gemcitabine prodrug nanoassemblies for effective cancer therapy.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39128288] [10.1016/j.jcis.2024.08.026]

5. Na Chen, Yuxin Luo, Jiaming Pan, Feng Jiang, Wanfen Pu.  (2025)  Double-tailed hydrophobically associating polymer: synthesis and enhanced salt resistance properties under external stimuli.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.128586]

6. Zhengzhou Sha, Mingqian Hao, Xi Xue, Feihong Zhuo, Xuting Zhou, Tingmei Lyu, Yuting Cui, Yaqin Gao, Chenqi Zhu, Baoping Jiang, Zhipeng Chen, Liu Xu.  (2025)  Dual-enhanced transdermal delivery: Magnolol-borneol nanoparticle hydrogel for topical treatment of diabetic peripheral neuropathy.  Biomaterials Advances,      [PMID:41456456] [10.1016/j.bioadv.2025.214676]

7. Xi Su, Wei Xu, Lulu Liu, Qingxiang You, Wenchang Yi, Siyu Chen, Zhenying Wan, Shuya Huang.  (2026)  Development of curcumin-loaded ethyl cellulose–sodium alginate/chitosan microgels for bactericidal applications.  International Journal of Polymeric Materials and Polymeric Biomaterials,      [PMID:] [10.1080/00914037.2026.2622943]

8. Shengyao Xu, Danping Wang, Si Zheng, Zhiyu Kuang, Ya Gao, Haiyu Zhao, Lurong Zhang, Jiayu Guo, Jingyi Zhang, Weiyao Li, Anhua Wang, Hongrui Lei, Zhonggui He, Ken-ichiro Kamei, Jianzhao Niu, Lingyun Ma, Bingjun Sun.  (2026)  Tailoring drug-to-lipid ratio in redox-responsive lipid-mimetic prodrug liposomes for superior cabazitaxel delivery and antitumor efficacy.  BMEMat,      [PMID:] [10.1002/bmm2.70122]