trans-Nerolidol - ≥85% , CAS No.40716-66-3

CAS: 40716-66-3 Cat. No.: T355391 Formula: C₁₅H₂₆O Peso molecolare: 222.37 Numero EC: 255-053-4

GRADE & PURITY ≥85%

Synonyms

N0454 | (E)-nerolidol | STL193540 | trans-3,7,11-trimethyl-dodeca-1,6,10-trien-3-ol | W-110939 | Methylvinylhomogeranyl carbinol | (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol | (6E)-3,7,11-Trimethyl-1,6,10-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

N0454 | (E)-nerolidol | STL193540 | trans-3,7,11-trimethyl-dodeca-1,6,10-trien-3-ol | W-110939 | Methylvinylhomogeranyl carbinol | (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol | (6E)-3,7,11-Trimethyl-1,6,10-

Specifiche e purezza

≥85%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥85%

Nomi e identificatori

• Pubchem Sid: 504763495
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763495
• Sorrisi canonici: CC(=CCCC(=CCCC(C)(C=C)O)C)C
• IUPAC Name: (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
• InChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-N
• INCHI: 1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
• Isomeri SMILES: CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
• WGK Germania: 1
• Peso molecolare: 222.37
• Reaxy-Rn: 1724135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724135&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

Obiettivi associati (umani)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Obiettivi associati (non umani)

Staphylococcus aureus (210822 Activities)

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

Cutibacterium acnes (887 Activities)

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

Oryctolagus cuniculus (11301 Activities)

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

Mus musculus (284745 Activities)

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Indice di rifrazione: n20/D 1.479(lit.)
• Punto di ebollizione (°C): 145-146° C (lit.) at 12 mmHg
• Peso molecolare: 222.370 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Qincao Chen, Penghui Yu, Ziyi Li, Yuhang Wang, Yafang Liu, Yin Zhu, Haihui Fu.  (2023)  Re-Rolling Treatment in the Fermentation Process Improves the Aroma Quality of Black Tea.  Foods,  12  (19): (3702).  [PMID:37835355] [10.3390/foods12193702]

2. Xiya Feng, Hongwei Wang, Zhirong Wang, Pimiao Huang, Jianquan Kan.  (2021)  Discrimination and characterization of the volatile organic compounds in eight kinds of huajiao with geographical indication of China using electronic nose, HS-GC-IMS and HS-SPME-GC–MS.  FOOD CHEMISTRY,      [PMID:34865919] [10.1016/j.foodchem.2021.131671]

3. Zhong-Sheng Tang, Xin-An Zeng, Margaret A. Brennan, Zhong Han, Debao Niu, Yujia Huo.  (2019)  Characterization of aroma profile and characteristic aromas during lychee wine fermentation.  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  43  (8): (e14003).  [PMID:] [10.1111/jfpp.14003]

4. Xuexue Zheng, He Xie, Wenjie Fu, Chao Wang, Tengfei Hu, Xingchang Ou, Jian'an Huang, Zhonghua Liu, Qin Li.  (2025)  Perceptual interactions of key aroma compounds in Fu brick tea: Odor threshold, sensory, and E-nose analysis.  Current Research in Food Science,      [PMID:40061875] [10.1016/j.crfs.2025.101004]

5. Qi Lin, Cheng Peng, Kunpeng Yu, Yanling Lin, Yongquan Xu, Lijun Li, Hui Ni, Feng Chen.  (2024)  The mining of thermostable β-glucosidase for tea aroma enhancement under brewing conditions.  FOOD CHEMISTRY,      [PMID:39089040] [10.1016/j.foodchem.2024.140624]

6. Ziyue Chen, Qi Lin, Cheng Peng, Kunpeng Yu, Yanling Lin, Shuyi Weng, Lijun Li, Hui Ni, Feng Chen.  (2025)  Differential modulation of aroma profiles in instant Oolong tea powder by two Aspergillus niger β-glucosidases.  FOOD CHEMISTRY,      [PMID:40953527] [10.1016/j.foodchem.2025.146372]

7. Qisi Lin, Miao Wang, Jinghua Li, Wanping Shi, Hui Wang, Chunjie Zhao.  (2014)  Analysis of Fatty Acids, Aliphatic Esters, and In Vitro Studies of Antioxidant and Antimicrobial Activities for Recineckea carnea and Tupistra chinensis from the Guizhou Province.  JOURNAL OF MEDICINAL FOOD,  17  (2): (236-243).  [PMID:24320985] [10.1089/jmf.2013.2855]

8. Haichun Zeng, Jiatong Zeng, Beilin Meng, Yuxin Zhou, Kai Zhou, Li Rao.  (2025)  A Novel Sesquiterpene Synthase from Neophaeococcomyces mojaviensis for α-Santalene Production.  ACS Synthetic Biology,      [PMID:41258727] [10.1021/acssynbio.5c00559]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40716-66-3, the molecular formula is C15H26O, and the molecular weight is 222.37 g/mol. InChIKey FQTLCLSUCSAZDY-SDNWHVSQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.