αテトラロン

1-Tetralone

HCID 10724CAS 29059-07-2

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCCc2ccccc21
InChIKey: XHLHPRDBBAGVEG-UHFFFAOYSA-N
分子式: C10H10O
平均分子量: 146.19 g/mol
単同位体質量: 146.07316494

名称と識別子

優先名称: 1-Tetralone
IUPAC: 3,4-dihydro-2H-naphthalen-1-one
英語名: 3,4-dihydronaphthalen-1-one
分子式: C10H10O
分子量: 146.1858

名称と別名

1-TETRALONE529-34-0alpha-Tetralone3,4-dihydronaphthalen-1(2H)-one1,2,3,4-Tetrahydronaphthalen-1-onetetralone3,4-Dihydro-1(2H)-naphthalenone1-Oxotetralin.alpha.-Tetralone1(2H)-Naphthalenone, 3,4-dihydro-NSC 51711,2,3,4-Tetrahydro-1-naphthalenone

名称をさらに表示

3,4-dihydronaphthalen-1-one

DTXSID2027175HSDB 5678EINECS 208-460-6BRN 06073746VT52A15HYAI3-19569NSC-5171DTXCID007175

データベース識別子

CAS: 29059-07-2、529-34-0
PubChem CID: 10724
DTXSID: DTXSID2027175
ChEMBL: CHEMBL193373
UNII: 6VT52A15HY
EC Number: 208-460-6、249-394-8
Nikkaji: J6.684B

物性

構造計算による物性

XLogP: 2
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: 162

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

Density1.0988 @ 16 °C/4 °C

Color/FormLIQUID

SolubilityINSOL IN WATER

Flash Point · 2 件

129 °C

265 °F

安全と法規制

GHS分類

GHS Classification · 4 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 162 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1(2H)-Naphthalenone, 3,4-dihydro-

Status: Active Update: 11-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20331

1,2,3,4-Tetrahydro-1-naphthalenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Environmental BiodegradationTHE BIODEGRADATION, BY ACTIVATED SLUDGE, OF LINEAR DODECYLBENZENESULFONATE TAGGED WITH (14)C ON THE SIDE CHAIN WAS STUDIED. DECOMPOSITION PRODUCTS DETERMINED AFTER DESULFONATION INCLUDED 1-TETRALONE.