(S)-(−)-プレゴン

Pulegone, (-)-

HCID 638012

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3391-90-0
標準SMILES: CC(C)=C1CC[C@H](C)CC1=O
InChIKey: NZGWDASTMWDZIW-QMMMGPOBSA-N
分子式: C10H16O
平均分子量: 152.23 g/mol
単同位体質量: 152.12011513

名称と識別子

優先名称: Pulegone, (-)-
IUPAC: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
現地名: (S)-(−)-プレゴン
英語名: S-(-)-PULEGONE
分子式: C10H16O
分子量: 152.23

名称と別名

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

名称をさらに表示

(S)-(−)-プレゴン(-)-プレゴンPULEGONE, 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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 197

物理化学的性質

融点: 244 °C · 244°C
沸点: 223 · 223-224 °C
比重(密度): 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.488(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Sparingly), Ethanol (Slightly)
外見: Oil
色: Colourless
臭い (Odor): ミント系
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)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

F: 10-23
wgk: 3
ridadr: NA 1993 / PGIII
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 16-26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

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

サプライヤー29 社

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

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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]

化合物ノート

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