CAS 32249-35-7 3-Cyclopropyl-3-Oxopropionic Acid Methyl Ester (HCID 10130016)

기본 정보

CAS: 32249-35-7
표준 SMILES: COC(=O)CC(=O)C1CC1
InChIKey: RIJWDPRXCXJDPK-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: 3-Cyclopropyl-3-Oxopropionic Acid Methyl Ester
IUPAC: methyl 3-cyclopropyl-3-oxopropanoate
영어명: Methyl 3-cyclopropyl-3-oxopropionate
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

3-Cyclopropyl-3-oxopropionic acid methyl esterRefChem:500971608-722-3Methyl 3-cyclopropyl-3-oxopropanoate32249-35-7METHYL 3-CYCLOPROPYL-3-OXOPROPIONATE3-cyclopropyl-3-oxo-propionic acid methyl esterMFCD002740903-cyclopropyl-3-oxopropanoic acid methyl estermethyl-3-cyclopropyl-3-oxopropanoate3-Cyclopropyl-3-oxopropanoic-d5AcidMethylEsterMethyl 3-cyclopropyl-3-oxo-propanoate

이름 더 보기

MCOPBUTTPARK 30\10-64Pitavastatin Impurity 79-3-oxo-propionic acid methyLMethyl β-oxocyclopropanepropanoateMethyl 2-(Cyclopropylcarbonyl)acetateMethyl3-Cyclopropyl-3-oxopropionate>Methyl 3-cyclopropyl-3-oxopropanoate 95%

Methyl 3-Cyclopropyl-3-oxopropionate; Methyl 2-(Cyclopropylcarbonyl)acetate; beta-Oxo-cyclopropanepropanoic Acid Methyl Ester;methyl3-cyclopropyl-3-oxopropanoateSCHEMBL221809Methyl-2-cyclopropanoyl-acetateDTXSID00435934AC-300methyl-3-cyclopropyl-3-oxopropionateSBB086231

데이터베이스 식별자

CAS: 32249-35-7
PubChem CID: 10130016
DTXSID: DTXSID00435934
EC Number: 608-722-3
Nikkaji: J899.689J

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 158

물리화학적 성질

끓는 점: 193 °C · 193°C
밀도: 1.174 · 1.174
굴절률: 1.45 to · 1.4500 to 1.4540
인화점: 74 °C · 74°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 10.59 · 10.59±0.20(Predicted)
색상: 무색의
InChI: InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
InChIKey: RIJWDPRXCXJDPK-UHFFFAOYSA-N
SMILES: C1(CC1)C(=O)CC(=O)OC

화학적 성질

Methyl 3-cyclopropyl-3-oxopropionate is Clear Colorless Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 3 (100%)