Cyclopentanepropanoic acid (HCID 8818)

개요

3-cyclopentylpropionic acid is a monocarboxylic acid that is propionic acid in which one of the methyl hydrogens is substituted by a cyclopentyl group.

이름 및 식별자

우선 이름: Cyclopentanepropanoic acid
IUPAC: 3-cyclopentylpropanoic acid
영어명: 3-Cyclopentylpropionic acid
분자식: C8H14O2
분자량: 142.2

이름 및 동의어

3-Cyclopentylpropionic acid140-77-23-Cyclopentylpropanoic acidCyclopentanepropanoic acidCyclopentanepropionic acidcypionic acidCyclopentylpropionic acidPropionic acid, 3-cyclopentyl-931H8F0JEENSC 8771NSC-8771EINECS 205-433-0

이름 더 보기

AKOS BBS-000038023-Cyclopentylpropioncyclopentanepropanoicacid3-cyclopentylpropionicaci3-Cylcopentylpropanoic acid

3-Cyclopentyl-propionic acidAI3-14247DTXSID4059700CHEBI:50899CYCLOPENTYLPROPANOIC ACID [USP-RS]CYCLOPENTYLPROPANOIC ACID (USP-RS)RefChem:580998DTXCID2034546

데이터베이스 식별자

CAS: 140-77-2
PubChem CID: 8818
DTXSID: DTXSID4059700
ChEMBL: CHEMBL1230184
ChEBI: CHEBI:50899
UNII: 931H8F0JEE
EC Number: 205-433-0
Nikkaji: J79.460K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: -
끓는 점: 130 · 130-132 °C/12 mmHg (lit.)
밀도: 0.996 g/mL · 0.996 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.457(lit.)
인화점: 116 °F · 116 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 4.81 · 4.81±0.10(Predicted)
색상: 무색~황색으로 투명함
수용성: 불용성
InChI: InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKey: ZRPLANDPDWYOMZ-UHFFFAOYSA-N
SMILES: C1(CCC(O)=O)CCCC1
NIST: Cyclopentanepropanoic acid(140-77-2)
EPA: Cyclopentanepropanoic acid (140-77-2)

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 16-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33677

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29162090
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36-24/25
포장분류: III
위험 등급: 3
기존화학 물질: KE-09315
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclopentanepropanoic acid: ACTIVE

응용 분야

용도3-Cyclopentylpropionic acid can be used as an organic building blocks in the synthesis of variety of pharmaceutical compound. It is used for the synthesis of Testosterone Cypionate (T155100).