CAS 25601-41-6 Methyl 9-decenoate (HCID 1778877)

기본 정보

CAS: 25601-41-6
표준 SMILES: C=CCCCCCCCC(=O)OC
InChIKey: SBIGSHCJXYGFMX-UHFFFAOYSA-N
분자식: C11H20O2
평균 분자량: 184.27 g/mol
단동위원소 질량: 184.14632988

이름 및 식별자

우선 이름: Methyl 9-decenoate
IUPAC: methyl dec-9-enoate
현지명: 9-데센산,메틸에스테르
영어명: 9-Decenoic acid, methyl ester
분자식: C11H20O2
분자량: 184.28

이름 및 동의어

methyl 9-decenoate25601-41-69-Decenoic acid, methyl esterDTXSID30365139EC 662-772-0RefChem:157762DTXCID30316181SBIGSHCJXYGFMX-UHFFFAOYSA-Nmethyl dec-9-enoate9-Decenoic acid Methyl estermethyl-9-decenoateMFCD00778388

이름 더 보기

9-데센산,메틸에스테르Methyl dec-9-enoate,98% (stabilized with MEHQ)Methyl dec-9-enoate (Stabilized with MEHQ) - [M70344]

4K2M7ZTD5Tmethyl Sdecenoatemethyl 9-decen-1-oate9-Decenoic acid, methyl9-Decenoicacid,methylester9-DAMEUNII-4K2M7ZTD5TMLS001048893

데이터베이스 식별자

CAS: 25601-41-6
PubChem CID: 1778877
DTXSID: DTXSID30365139
ChEMBL: CHEMBL1364550
UNII: 4K2M7ZTD5T
EC Number: 662-772-0
Nikkaji: J498.751I

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 9
무거운 원자 수: 13
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

Physical DescriptionCBI

물리화학적 성질

끓는 점: 123 °C · 123 °C(Press: 21 Torr)
밀도: 0.883 · 0.883±0.06 g/cm3(Predicted)
증기압: 13.37 Pa · 13.37Pa at 25℃
저장 조건: 2 · 2-8°C, stored under nitrogen
InChI: InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3H,1,4-10H2,2H3
InChIKey: SBIGSHCJXYGFMX-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCCCCCC=C
LogP: 4.6 at · 4.6 at pH7.8
표면장력: 70.8 mN/m · 70.8mN/m at 7.8mg/L and 22℃
EPA: 9 · 9-Decenoic acid, methyl ester (25601-41-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 48.7% (38 of 78) of reports.

Warning

H400 (48.7%): 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 78 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

9-Decenoic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Decenoic acid, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 29-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/6249

EPA Safer ChemicalChemical: 9-Methyl decenoate

Hazard Classes and CategoriesAquatic Acute 1 (48.7%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Use Classification · 2건

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information9-Decenoic acid, methyl ester: ACTIVE

응용 분야

용도9-Decenoic acid, methyl ester is on the EPA's list of safer chemicals that have been verified as low concern and are commonly used as organic solvents.