10-ウンデセン酸 メチル

Methyl 10-undecenoate

HCID 8138CAS 111-81-9
部分構造検索類似構造を探す

基本情報

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

XLogP
4.2
極性表面積
26.3 Ų
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

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

融点
26 · 26-27℃
沸点
245 °C · 245 °C (lit.)
比重(密度)
0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
蒸気圧
2.1 hPa · 2.1hPa at 25℃
FEMA
4253 · 4253 | METHYL 10-UNDECENOATE
屈折率
20 · n20/D 1.437(lit.)

化学的性質

化学的特性Colorless liquid; oily aroma.

安全と法規制

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

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

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

補足説明

定義ChEBI: A fatty acid methyl ester of 10-undecenoic acid.

関連反応

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