10-ウンデセン酸メチル

Methyl 10-undecenoate

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基本情報

CAS: 111-81-9
標準SMILES: C=CCCCCCCCCC(=O)OC
InChIKey: KISVAASFGZJBCY-UHFFFAOYSA-N
分子式: C12H22O2
平均分子量: 198.3 g/mol
単同位体質量: 198.16197994

概要

Methyl undecenate is a fatty acid methyl ester of 10-undecenoic acid. It has a role as a metabolite. It is functionally related to a 10-undecenoic acid.

名称と識別子

優先名称: Methyl 10-undecenoate
IUPAC: methyl undec-10-enoate
現地名: 10-ウンデセン酸メチル
英語名: Methyl 10-undecenoate
分子式: C12H22O2
分子量: 198.3

名称と別名

Methyl undec-10-enoate111-81-9METHYL 10-UNDECENOATEMethyl undecylenateMethyl undecenateMethyl undecenoate10-Undecenoic acid, methyl ester10-Undecenoic acid methyl estermethyl 10-undecylenateDTXSID5046566UNII-RWN4DY6S6TRWN4DY6S6T

名称をさらに表示

10-ウンデセン酸メチル10-ウンデシレン酸メチル10-ウンデセン酸メチルウンデシレン酸メチル10-ヘンデセン酸メチルメチル-10-ウンデセン酸メチル＝ウンデカ-10-エノアートウンデセ-10-エン酸メチルNSC 1273methylundec-10Methyl 10-undecenEleven Methyl-eneMETHYL10-UNDECNOATEMETHYL 10-UNDECENATE

NSC-1273Methyl undec-10-enylateEINECS 203-910-810-HENDECENOIC ACID METHYL ESTERMASKOD MNS 01-10AI3-00647DTXCID3026566FEMA NO. 4253

データベース識別子

CAS: 111-81-9
PubChem CID: 8138
DTXSID: DTXSID5046566
ChEMBL: CHEMBL1591973
ChEBI: CHEBI:87493
UNII: RWN4DY6S6T
EC Number: 203-910-8
Nikkaji: J45.865A

物性

構造計算による物性補完中

XLogP: 4.2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 10
重原子数: 14
形式電荷: 0
複雑度: 152

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Methyl undec-10-enoate) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.885-0.891 (20 °C)

Solubility · 3 件

slightly

Slightly soluble in water

Soluble (in ethanol)

物理化学的性質

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1496 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 10-Undecenoic acid, methyl ester

Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10072

Methyl-10-undecenoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 10-Undecenoic acid, methyl ester: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9 / PGIII
hs_code: 29161900
risk_code: 36/37/38-20/22
消防法: 危-4-3-III
hazard_code: Xn,N
safety_code: 26-36/37/39-61-60-24/25
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information10-Undecenoic acid, methyl ester: ACTIVE

応用分野 · 2 件

使用Methyl 10-undecenoate, unsaturated fatty acid ester, is used to modify commercial silicone monomer, 1,3,5,7-tetramethylcyclotetrasiloxane for the preparation of silicone hollow nano/microstructures in water.

一般的な説明Methyl 10-undecenoate is the chain stopper in the polymerization of long-chain aliphatic α,ω-diene through acyclic diene metathesis (ADMET). This helps in tuning the molecular weight of the resulting polyester in a range varying from 10 to 45 kDa.

上流・下流製品情報

上流原料

化合物ノート

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基本情報

CAS: 111-81-9
標準SMILES: C=CCCCCCCCCC(=O)OC
InChIKey: KISVAASFGZJBCY-UHFFFAOYSA-N
分子式: C12H22O2
平均分子量: 198.3 g/mol
単同位体質量: 198.16197994

概要

Methyl undecenate is a fatty acid methyl ester of 10-undecenoic acid. It has a role as a metabolite. It is functionally related to a 10-undecenoic acid.