6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one (HCID 75582)

名称と識別子

優先名称: 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one
IUPAC: 6-methoxy-3,4-dihydro-1H-naphthalen-2-one
現地名: 6-メトキシ-2-テトラロン
英語名: 6-Methoxy-2-tetralone
分子式: C11H12O2
分子量: 176.21

名称と別名

6-Methoxy-2-tetralone2472-22-26-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneEINECS 219-592-9DTXSID50179452RefChem:543539DTXCID801019433,4Dihydro6methoxy2(1H)naphthalenone6Methoxy1,2,3,4tetrahydronaphthalen2one219-592-96-methoxy-3,4-dihydronaphthalen-2(1H)-one6-methoxy-3,4-dihydro-1H-naphthalen-2-one

名称をさらに表示

6-メトキシ-2-テトラロン6-メトキシ-3,4-ジヒドロナフタレン-2(1H)-オン6-メトキシ-1,2,3,4-テトラヒドロナフタレン-2-オン6-メトキシ-β-テトラロン3,4-ジヒドロ-6-メトキシナフタレン-2(1H)-オン6-メトキシテトラリン-2-オン3,4-ジヒドロ-6-メトキシ-2(1H)-ナフタレノン6‐メトキシ‐2‐テトラロン6-メトキシ-2-テトラロン, TECH6-メトキシ-3,4-ジヒドロ-2(1H)-ナフタレノン6-メトキシ-2-テトラロン, tech. 90%6-Methoxytetralin-2-oneCompound Fr122886-methoxy-2-Tetrlone4-dihydro-6-Methoxy-6-Methoxy-2-tetralone>6-METHOXY-2-TETRALONE 95%6-Methoxy-2-tetralone,98%

6-methoxyl-2-tetralone2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-MFCD000017296-Methoxy-3,4-dihydro-2(1H)-naphthalenone2672-22-23,4-DIHYDRO-6-METHOXYNAPHTHALEN-2(1H)-ONE3,4-Dihydro-6-methoxy-2(1H)-naphthalenoneMaybridge4_003003

データベース識別子

CAS: 2472-22-2
PubChem CID: 75582
DTXSID: DTXSID50179452
ChEMBL: CHEMBL445805
UNII: LAV9W5N9D9
EC Number: 219-592-9
Nikkaji: J80.498C

物性

構造計算による物性

XLogP: 1.6
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 200

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Ketones

Physical DescriptionYellow to red-orange solid; mp = 33-35 deg C; [Acros Organics MSDS]

物理化学的性質

融点: 28 · 28-35 °C
沸点: 114 · 114-116 °C (0.2 mmHg)
比重(密度): 1.0431 · 1.0431 (rough estimate)
屈折率: 20 · n20/D 1.5645(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: 結晶性低融点固体
色: ライトイエローベージュ～オレンジ
BRN: 513418 · 513418
InChI: InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(OC)C=C2)CCC1=O
CAS データベース: 2472 · 2472-22-2(CAS DataBase Reference)

化学的性質

化学的特性light yellow-beige to orange

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 6-Methoxy-alpha-tetralone and 1-Tetralone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29145090
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

説明6-methoxy-2-tetralone has been selected as the starting material for the synthesis of many steroidal compounds, including 2-aminotetalin derivatives, which exhibit antifungal activities, tetrahydro benzocycloheptane and many terpenoid compounds. 6-methoxy-2-tetralone is more expensive, difficult to synthesize, and unstable in comparison to 6-methoxy-1-tetralone[1].

使用6-Methoxy-3,4-dihydro-2(1H)-naphthalenone was used in the synthesis of 1, 2, 3, 4-tetrahydro-2-naphthylamine derivatives.