Methyl 10-undecenoate

METHYL UNDECENOATE · NSC 1273 · methylundec-10 · Maskod MNS 01-10 · Methyl 10-undecen · Eleven Methyl-ene · Methyl undecenate · METHYL UNDECYLENATE

https://huagongshe.com/ko/chemical/8138

식별자 및 물리적 특성

CAS No.	111-81-9
분자식	C12H22O2
평균 분자량	198.3 g/mol
단동위원소 질량	198.16197994 g/mol
SMILES	C=CCCCCCCCCC(=O)OC
InChIKey	KISVAASFGZJBCY-UHFFFAOYSA-N
PubChem CID	8138
ChEMBL	CHEMBL1591973
ChEBI	CHEBI:87493
EC No.	203-910-8
DTXSID	DTXSID5046566

화학 및 물리적 성질

XLogP	4.2
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	10
무거운 원자 수	14
형식 전하	0
복잡도	152
지질	Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials Properties	Boiling point
향료	Fragrance Ingredient (Methyl undec-10-enoate) -> IFRA transparency List
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.885-0.891 (20 °C)0.882 g/mL at 25 °C (lit.)
용해도	slightlySlightly soluble in waterSoluble (in ethanol)H2O: 불용성
끓는 점	245.00 to 248.00 °C. @ 760.00 mm Hg243-247 °C245 °C (lit.)
녹는점	27.5 °C26-27℃
굴절률	1.436-1.442n20/D 1.437(lit.)
Physical Description	SolidColourless liquidOily aroma
증기압	2.1hPa at 25℃
FEMA	4253 \| METHYL 10-UNDECENOATE
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	투명한 액체
비중	0.882
색상	무색~연황색
냄새	100.00%에서. 지방 밀랍 감귤류 흙 같은 곰팡이 장미 꽃 무늬의
향취 유형	지방이 많은
생물학적 소스	synthetic
용해도	794μg/L at 20℃
JECFA Number	1639
주요 응용	향료 및 향
화장품 원료 기능	향수탈취제
InChI	1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
InChIKey	KISVAASFGZJBCY-UHFFFAOYSA-N
SMILES	COC(=O)CCCCCCCCC=C
LogP(분배 계수)	5.3 at 20℃
EPA	10-Undecenoic acid, methyl ester (111-81-9)

화학적 성질

Colorless liquid; oily aroma.

안전 및 규제

GHS 분류	WarningH302 (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.
규제 정보	Chemical: 10-Undecenoic acid, methyl esterStatus: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10072Methyl-10-undecenoate: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - 10-Undecenoic acid, methyl ester: Human health tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3082 9 / PGIII
관세 코드	29161900
위험 문구(R)	36/37/38-20/22
위험 표시	Xn,N
안전 문구(S)	26-36/37/39-61-60-24/25
기존화학 물질	KE-25410
위험 등급	Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
저장 분류	10 - Combustible liquids

용도

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.

일반 설명

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.