S-(-)-풀레곤

Pulegone, (-)-

HCID 638012CAS 3391-90-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)=C1CC[C@H](C)CC1=O
InChIKey: NZGWDASTMWDZIW-QMMMGPOBSA-N
분자식: C10H16O
평균 분자량: 152.23 g/mol
단동위원소 질량: 152.12011513

이름 및 식별자

우선 이름: Pulegone, (-)-
IUPAC: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
현지명: S-(-)-풀레곤
영어명: S-(-)-PULEGONE
분자식: C10H16O
분자량: 152.23

이름 및 동의어

(-)-Pulegone3391-90-0(S)-(-)-PulegonePulegone, (-)-L-PULEGONEHL7Z89M60HCyclohexanone, 5-methyl-2-(1-methylethylidene)-, (S)-DTXSID901317958RefChem:870307DTXCID701747751625-219-4(s)-pulegone

이름 더 보기

S-(-)-풀레곤PULEGONE, S-(-)-(S)-(-)-Pulegone 98%S-(-)-PULEGONE WITH GC(S)-(?)-Pulegone(S)-P-MENTH-4(8)-EN-3-ONEVerapamil Hydrochloride-d3(S)-2-ISOPROPYLIDENE-5-METHYLCYCLOHEXANONE

UNII-HL7Z89M60H(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one(5S)-5-METHYL-2-(PROPAN-2-YLIDENE)CYCLOHEXAN-1-ONE(S)-5-Methyl-2-(propan-2-ylidene)cyclohexanoneMFCD00142347S-(-)-PULEGONE(S)-5-methyl-2-(1-methylethylidene)-cyclohexane; (S)-(-)-p-Menth-4(8)-en-3-oneCHEMBL366136

데이터베이스 식별자

CAS: 3391-90-0
PubChem CID: 638012
DTXSID: DTXSID901317958
ChEMBL: CHEMBL366136
ChEBI: CHEBI:81226
UNII: HL7Z89M60H
EC Number: 625-219-4
Nikkaji: J598.239A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 197

물리화학적 성질

녹는점: 244 °C · 244°C
끓는 점: 223 · 223-224 °C
밀도: 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.488(lit.)
인화점: 185 °F · 185 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 에탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
냄새: 민트 맛
BRN: 2040703 · 2040703
Dielectric constant: 9.5 · 9.5(20℃)
InChI: 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey: NZGWDASTMWDZIW-QMMMGPOBSA-N
SMILES: C[C@H]1CC\C(=C(/C)C)C(=O)C1
LogP: 2.556 · 2.556 (est)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 16-26-36
F 고인화성물질: 10-23
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(S)-Pulegone is the stereoisomer of (R)-Pulegone (P840140) which is a monoterpene, commonly found in the essential oils of Nepeta cataria (Catnip).

공급사29 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

成都健腾生物技术有限公司028-85159085 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏星科元信息科技有限公司400-605-7200 15335295587

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

연결된 노트

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