Z-9-DODECEN-1-YL아세테이트

9-Dodecenyl acetate, (9Z)-

HCID 5363405CAS 16974-11-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC/C=C\CCCCCCCCOC(C)=O
InChIKey: MFFQOUCMBNXSBK-PLNGDYQASA-N
분자식: C14H26O2
평균 분자량: 226.35 g/mol
단동위원소 질량: 226.19328007

개요

9Z-Dodecenyl acetate is a carboxylic ester.

이름 및 식별자

우선 이름: 9-Dodecenyl acetate, (9Z)-
IUPAC: [(Z)-dodec-9-enyl] acetate
현지명: Z-9-DODECEN-1-YL아세테이트
영어명: Z-9-dodecen-1-yl acetate
분자식: C14H26O2
분자량: 226.35

이름 및 동의어

16974-11-1(Z)-9-Dodecenyl acetate(Z)-9-Dodecen-1-ol acetateGrapemoneSonolureNomate ShootgardWPSB PheromoneBocep VITI9-Dodecen-1-ol, acetate, (Z)-(Z)-Dodec-9-enyl acetate(Z)-1-Acetoxy-9-dodecenecis-9-Dodecen-1-ol acetate

이름 더 보기

Z-9-DODECEN-1-YL아세테이트rak1z-9-dda9Z-12Acbocepviti(z)-9-dodecenyl9Z-Dodecenyl acetatecis-9-dodecenylacetate(z)-9-dodecenylacetate9Z-Dodecen-1-ol acetate

cis-9-Dodecen-1-yl acetateCaswell No. 411Bcis-9-Dodecenyl acetate(Z)-9-Dodecen-1-yl acetate9-Dodecenyl acetate, (9Z)-EINECS 241-054-79-Dodecen-1-ol, acetate, (9Z)-EPA Pesticide Chemical Code 117701

데이터베이스 식별자

CAS: 16974-11-1
PubChem CID: 5363405
DTXSID: DTXSID6035524
ChEBI: CHEBI:179333
UNII: AWM7282GA1
EC Number: 241-054-7
Nikkaji: J653J

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 11
무거운 원자 수: 16
형식 전하: 0
복잡도: 185

실험 및 물리화학적 성질

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

Pesticides · 3건

Attractants

Active substance -> EU Pesticides database: Approved

Pheromones, Insect attractants, Insecticides

물리화학적 성질

끓는 점: 300.1 · 300.1±21.0℃ (760 Torr)
밀도: 0.881 · 0.881±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.4439 · 1.4439 (22℃)
인화점: 96.5 · 96.5±20.4℃
InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4-
InChIKey: MFFQOUCMBNXSBK-PLNGDYQASA-N
SMILES: C(OC(=O)C)CCCCCCC/C=C\CC
LogP: 5.504 · 5.504 (est)
EPA: -9 · (Z)-9-Dodecen-1-ol acetate (16974-11-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.

Warning

H400 (12.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 2229/2004

2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160

Hazard Classes and CategoriesAquatic Acute 1 (12.6%)

안전 데이터

tsca: TSCA listed
독성: LD50 oral in rat: > 5gm/kg
기존화학 물질: KE-12922

화학 및 산업

용도 및 제조

Use ClassificationPheromones, Insect attractants, Insecticides

General Manufacturing Information9-Dodecen-1-ol, 1-acetate, (9Z)-: ACTIVE

응용 분야 · 1건

용도(9Z)-Dodecen-1-ol Acetate is derived from 2-Decyn-1-ol (D228475), which is used in the synthesis of antitumor agents, isomers of Panaxytriol and Falcarinol (F101100). Also used in the synthesis of aromatase inhibitors used in the treatment of cancers, primarily breast and ovarian.

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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