(E)-2-Decensure

trans-2-Decenoic acid

HCID 5282724CAS 26446-27-5
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Grundinformationen

Standard-SMILES
CCCCCCC/C=C/C(=O)O
InChIKey
WXBXVVIUZANZAU-CMDGGOBGSA-N
Summenformel
C10H18O2
Durchschnittliche Molmasse
170,25 g/mol
Monoisotopische Masse
170,13067982

Überblick

Trans-2-decenoic acid is a 2-decenoic acid having its double bond in the trans configuration. It is an intermediate metabolite in the fatty acid synthesis. It has a role as a human metabolite. It is a conjugate acid of a (2E)-decenoate.

Namen und Bezeichner

Bevorzugter Name
trans-2-Decenoic acid
IUPAC
(E)-dec-2-enoic acid
Lokaler Name
(E)-2-Decensure
Englischer Name
trans-2-Decenoic acid
Summenformel
C10H18O2
Molmasse
170.25

Namen und Synonyme

trans-2-Decenoic Acid334-49-6(E)-2-Decenoic acid2-Decenoic acid, (E)-FEMA NO. 3913CHEBI:50467DTXSID20904657RefChem:933260DTXCID20831232206-378-5(E)-dec-2-enoic acidDecenoic acid
Weitere Namen anzeigen
2-DECENOIC ACID2-DECYLENIC ACIDFEMA NUMBER 3913T2 DECENOIC ACIDrans-2-decenoicaciRARECHEM AL BK 0166TRANS-2-DECYLENIC ACID2-Decenoic acid, (2E)-
5(6)-Decenoic acid5- and 6-Decenoic acidMFCD0003953072881-27-72E-DECENOIC ACID(2E)-dec-2-enoic acidE-2-Decenoic acidtrans-dec-2-enoic acid

Datenbank-Bezeichner

CAS
26446-27-5、334-49-6、72881-27-7
PubChem CID
5282724
DTXSID
DTXSID20904657
ChEMBL
CHEMBL2229622
ChEBI
CHEBI:50467
UNII
332T8TH7B1
EC Number
206-378-5、247-698-5、615-866-0
Nikkaji
J79.875D、J98.042K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
7
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
FragrancesFragrance Ingredient (5- and 6-Decenoic acid) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.923-0.933
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

Soluble in oils

Soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
18.83 °C · 18.83°C (estimate)
Siedepunkt
135 · 135-121 °C (2.5 mmHg)
Dichte
0.925 · 0.925
Brechungsindex
1.46 · 1.46-1.464
FEMA
3913 · 3913 | 2-DECENOIC ACID
Flammpunkt
160 °C · 160 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 1286 reports by companies from 1 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 92% (126 of 137) of all reports.

Not Classified

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Decenoic acid

Decenoic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories · 3 Einträge

Skin Corr. 1B (33.3%)

Skin Irrit. 2 (100%)

Not Classified

Sicherheitsdaten

hs_code
2916.19.3000
risk_code
34
hazard_code
C
safety_code
45-36/37/39-25

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular
Metabolite PathwaysFatty Acid Biosynthesis

Verwendung und Herstellung

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationDecenoic acid: ACTIVE
Anwendungen · 3 Einträge

Beschreibungtrans-2-Decenoic acid is an unsaturated fatty acid found in royal jelly produced from the hypopharyngeal and mandibular gland secretions of honeybees. It is isolated in conjunction with 10-HDA and both demonstrate weak estrogenic activity, inhibiting binding of 17β-estradiol to estrogen receptor β.

OccurrenceReported found in lamb, pork fat, black tea and wort.

Verwendentrans-2-Decenoic acid demonstrates weak estrogenic activity, inhibiting binding of 17β-estradiol (E888000) to estrogen receptor β.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A 2-decenoic acid having its double bond in the trans configuration. It is an intermediate metabolite in the fatty acid synthesis.

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