에틸1-나프탈렌아세테이트

alpha-Naphthaleneacetic acid, ethyl ester

HCID 62428CAS 2122-70-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)Cc1cccc2ccccc12
InChIKey: XIDPSKQLXKCVQN-UHFFFAOYSA-N
분자식: C14H14O2
평균 분자량: 214.26 g/mol
단동위원소 질량: 214.09937969

이름 및 식별자

우선 이름: alpha-Naphthaleneacetic acid, ethyl ester
IUPAC: ethyl 2-naphthalen-1-ylacetate
현지명: 에틸1-나프탈렌아세테이트
영어명: Ethyl 1-naphthaleneacetate
분자식: C14H14O2
분자량: 214.26

이름 및 동의어

Ethyl 1-naphthaleneacetate2122-70-5Ethyl 1-naphthylacetate1-Naphthaleneacetic acid, ethyl esterCaswell No. 589AADTXSID3034583alpha-Naphthaleneacetic acid, ethyl ester1-Naphththaleneacetic acid, ethyl ester4OV7F7186VEINECS 218-332-1NSC 74497NSC-74497

이름 더 보기

에틸1-나프탈렌아세테이트AKOS AU36-M550naa,ethylesterEthyl 1-naphthaleneaEthyl 1-NaphthylactetateEthyl 2-(1-Naphthyl)acetateETHYL-1-NAPHTHALENE ACETATE1-Naphthylacetate ethyl esterethyl 2-naphthalen-1-ylacetateethyl 2-naphthalen-1-ylethanoate

EPA Pesticide Chemical Code 056008BRN 1106730AI3-02254(1-NAPHTHYL)ACETIC ACID ETHYL ESTERDTXCID1014583NAPHTHALENEACETIC ACID, ETHYL ESTERNAPHTHALENEACETIC ACID ETHYL ESTER, 1-RefChem:555890

데이터베이스 식별자

CAS: 2122-70-5
PubChem CID: 62428
DTXSID: DTXSID3034583
ChEMBL: CHEMBL3183469
UNII: 4OV7F7186V
EC Number: 218-332-1
Nikkaji: J85.501D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 237

실험 및 물리화학적 성질

Melting Point88.5 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 88.5 °C · 88.5°C
끓는 점: 231 °C · 231 °C / 32mmHg
밀도: 1 · 1,11 g/cm3
굴절률: 1.578 · 1.5780-1.5820
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 투명 무색
EPA: 1 · Ethyl 1-naphthaleneacetate (2122-70-5)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAquatic Chronic 3 (50%)

독성 정보

RAIS Toxicity Values · 2건

0.25

OPP

안전 데이터

tsca: TSCA listed
rtecs: QJ0948000
HS 번호: 2916399090
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Household ProductsInformation on 1 consumer products that contain alpha-Naphthaleneacetic acid, ethyl ester in the following categories is provided:；• Landscaping/Yard

General Manufacturing Information1-Naphthaleneacetic acid, ethyl ester: INACTIVE