Methyl 10-undecenoate

HCID 8138CAS 111-81-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCCCCCCCCC(=O)OC
InChIKey
KISVAASFGZJBCY-UHFFFAOYSA-N
분자식
C12H22O2
평균 분자량
198.3 g/mol
단동위원소 질량
198.16197994

개요

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.

이름 및 식별자

우선 이름
Methyl 10-undecenoate
IUPAC
methyl undec-10-enoate
영어명
Methyl 10-undecenoate
분자식
C12H22O2
분자량
198.3

이름 및 동의어

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
4.2
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
10
무거운 원자 수
14

실험 및 물리화학적 성질

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 · 3건

slightly

Slightly soluble in water

Soluble (in ethanol)

물리화학적 성질

녹는점
26 · 26-27℃
끓는 점
245 °C · 245 °C (lit.)
밀도
0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
증기압
2.1 hPa · 2.1hPa at 25℃
FEMA
4253 · 4253 | METHYL 10-UNDECENOATE
굴절률
20 · n20/D 1.437(lit.)

화학적 성질

Colorless liquid; oily aroma.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3082 9 / PGIII
HS 번호
29161900
risk_code
36/37/38-20/22
hazard_code
Xn,N

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information10-Undecenoic acid, methyl ester: ACTIVE
응용 분야 · 2건

용도Methyl 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.

일반 설명Methyl 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.

상·하류 제품 정보

공급사50 곳

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]

추가 설명

정의ChEBI: A fatty acid methyl ester of 10-undecenoic acid.

관련 반응

5건
반응 기록 만들기

연결된 노트

불러오는 중…