메틸 언데칸산염

Methyl undecanoate

HCID 15607CAS 1731-86-8
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기본 정보

표준 SMILES
CCCCCCCCCCC(=O)OC
InChIKey
XPQPWPZFBULGKT-UHFFFAOYSA-N
분자식
C12H24O2
평균 분자량
200.32 g/mol
단동위원소 질량
200.17763

이름 및 식별자

우선 이름
Methyl undecanoate
IUPAC
methyl undecanoate
현지명
메틸 언데칸산염
영어명
METHYL UNDECANOATE
분자식
C12H24O2
분자량
200.32

이름 및 동의어

METHYL UNDECANOATEUndecanoic acid, methyl esterMethyl n-undecanoateEINECS 217-053-2UNII-K67YZ97W6Cn-Undecanoic acid methyl esterBRN 1762129K67YZ97W6CMethyl ester of undecanoic acidDTXSID3061922CHEBI:875273-02-00-00858 (Beilstein Handbook Reference)
이름 더 보기
메틸언데칸산염메틸언데칸산염MethylundecylateMethyl undecanateUNDECANOIC METHYLC11:0 METHYL ESTERmethyln-undecanoateRARECHEM AL BF 0156Methyl Undecanoate CRSC11:0 Undecanoic Methyl
RefChem:158053DTXCID1035523217-053-2XPQPWPZFBULGKT-UHFFFAOYSA-N1731-86-8Undecanoic acid methyl esterundecanoic acid-methyl esterMFCD00008957

데이터베이스 식별자

CAS
1731-86-8
PubChem CID
15607
DTXSID
DTXSID3061922
ChEBI
CHEBI:87527
UNII
K67YZ97W6C
EC Number
217-053-2
Nikkaji
J99.610F

물성

구조 계산 물성

XLogP
5.2
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

Kovats Retention Index · 3건

1410；1407；1410；1411；1422；1407；1419；1420；1406；1406；1407；1414；1405；1405；1408；1410；1404.8；1409.8

1421.5；1422.5；1427；1429；1429；1432；1427；1427.8；1430

1694；1703；1710；1665；1695；1699；1732；1672；1686.7；1696.6；1701.8；1704.6；1705.7；1706.6；1711.6；1728.7；1710；1732

물리화학적 성질

녹는점
-10 °C · -10°C
끓는 점
247 · 247-249 °C
밀도
0.872 g/mL · 0.872 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.429(lit.)
인화점
109 °C · 109°C
저장 조건
2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.

Danger

H318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 7 of 9 reports by companies.；There is 1 notification provided by 2 of 9 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Undecanoic acid, methyl ester

Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Undecanoic acid, methyl ester: Human health tier I assessment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Dam. 1 (22.2%)

규제 정보

Regulatory Information · 2건

Chemical: Undecanoic acid, methyl ester

Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
YQ2573000
독성
mouse,LDLo,intravenous,48mg/kg (48mg/kg),Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.
HS 번호
29159000
risk_code
41

화학 및 산업

용도 및 제조

General Manufacturing InformationUndecanoic acid, methyl ester: ACTIVE

응용 분야

용도Methyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

추가 설명

정의ChEBI: A fatty acid methyl ester of undecanoic acid.

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2건
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