γ-Undecanolactone - ≥96% , CAS No.104-67-6

CAS: 104-67-6 Cat. No.: U109752 분자식: C₁₁H₂₀O₂ 분자량: 184.28 Beilstein Registry Number: 17(1)294 EC 번호: 203-225-4 PubChem CID: 7714

등급 & 순도 ≥96%

Synonyms

5-Heptyl-dihydro-furan-2-one|Dihydro-5-heptyl-2(3H)-furanone|5-Heptyl-dihydrofuran-2(3H)-one|5-Heptyldihydrofuran-2(3H)-one|1,4-Hendecanolide|gamma-Heptyl-gamma-butyrolactone|Undecanolide-1,4|.gamma.-Undekalakton|Undecanoic acid, .gamma.-lactone|1,4-Undecanolide|gamma-Undecalactone (natural)|4- hydroxyundecanoic acid lactone|Aldehyde C-14 peach|GAMMA-UNDECALACTONE [INCI]|Undecan-4-olide|4-Hydroxyundecanoic acid lactone|5-Heptyldihydro-2(3H)-furanone|xi-gamma-Undecalactone|.gamma.-Undecalactone|5-heptyloxolan-2-one|(RS)-.GAMMA.-UNDECALACTONE|.gamma.-Heptyl-.gamma.-butyrolactone|4-Undecanolide|undecylene methyl lactone|.gamma.-n-Heptylbutyrolactone|Gamma-undecalactone|GAMMA-UNDECALACTONE [FCC]|5-Heptyldihydro-2(3H)-furanone #|.gamma.-Undecalatone|Peach lactone|.gamma.-Heptylbutyrolactone|gamma-Undecanolactone|2(3H)-Furanone, 5-heptyldihydro-|Aldehyde C14|.GAMMA.-UNDECALACTONE [FHFI]|gamma-Undecanolide|gamma-n-Heptylbutyrolactone|Undecanoic gamma -lactone|Undecanoic gamma-lactone|4-Hydroxyundecanoic acid, .gamma.-lactone|Persicol|Undecanoic acid, 4-hydroxy-, gamma-lactone|GAMMA UNDECALACTONE|gamma-Undekalakton|UNDECALACTONE GAMMA|Undecanoic .gamma.-lactone|.gamma.-Undecanolactone|gamma-Undekalakton [Czech]

Storage

Room temperature

Shipped In

Normal

개요

γ-Undecalactone is a volatile flavor constituent found in low-fat ice cream.

사양

동의어

5-Heptyl-dihydro-furan-2-one | Dihydro-5-heptyl-2(3H)-furanone | 5-Heptyl-dihydrofuran-2(3H)-one | 5-Heptyldihydrofuran-2(3H)-one | 1,4-Hendecanolide | gamma-Heptyl-gamma-butyrolactone | Undecanolide-1,4 | .gamma.-Undekalakton | Undecanoic acid, .gamma.-lactone | 1,4-Undecanolide | gamma-Undecalactone (natural) | 4- hydroxyundecanoic acid Show more

사양 및 순도

≥96%

보관 조건

Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

Pubchem Sid

528772224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772224

정식 스마일

CCCCCCCC1CCC(=O)O1

IUPAC Name

5-heptyloxolan-2-one

InChIKey

PHXATPHONSXBIL-UHFFFAOYSA-N

INCHI

1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

이성체 SMILES

CCCCCCCC1CCC(=O)O1

WGK 독일

1

RTECS

YQ2485000

PubChem CID

7714

분자량

184.28

Beilstein

17(1)294

Reaxy-Rn

81943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• External Descriptors: Lactones

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

관련 대상(인간)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Homo sapiens (32628 Activities)

Explore this target

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

관련 대상(비인간)

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.45
• 발화점(°F): 235.4 °F
• 발화점(°C): 137℃
• 끓는점(°C): 164-166°C
• 분자량: 184.270 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 184.146 Da
• Monoisotopic Mass: 184.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154.000
• 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