3-Cyclopropylpropanoic acid

HCID 2758013

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5618-03-1
표준 SMILES: O=C(O)CCC1CC1
InChIKey: PPZZCMKWRAVJDS-UHFFFAOYSA-N
분자식: C6H10O2
평균 분자량: 114.14 g/mol
단동위원소 질량: 114.06807956

이름 및 식별자

우선 이름: 3-Cyclopropylpropanoic acid
IUPAC: 3-cyclopropylpropanoic acid
영어명: 3-Cyclopropylpropionic acid
분자식: C6H10O2
분자량: 114.14

이름 및 동의어

3-cyclopropylpropanoic Acid5618-03-1DTXSID30374125RefChem:278874DTXCID70325156672-363-93-Cyclopropylpropionic acidCyclopropanepropanoic acidMFCD021794083-cyclopropyl-propionic acid3-cyclopropylpropanoicAcidcyclopropylmethylacetic acid

이름 더 보기

3-Cyclopropylpropanoic acid 97%

3-cyclopropulpropanoic acid3-cyclopropylpropoininc acidSCHEMBL301024SCHEMBL1477843SCHEMBL8555451SCHEMBL10333186SCHEMBL279902053-CYCLOPROPYLPROPIONICACID

데이터베이스 식별자

CAS: 5618-03-1
PubChem CID: 2758013
DTXSID: DTXSID30374125
EC Number: 672-363-9

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 94

물리화학적 성질

끓는 점: 208 ℃ · 208℃
밀도: 1.119 · 1.119
인화점: 102 ℃ · 102℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
물리적 상태: 액체
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.