1-四氢萘酮

1-Tetralone

HCID 10724CAS 29059-07-2

子结构检索查找相似结构

基本信息

标准SMILES: O=C1CCCc2ccccc21
InChIKey: XHLHPRDBBAGVEG-UHFFFAOYSA-N
分子式: C10H10O
平均分子量: 146.19 g/mol
单同位素质量: 146.07316494

名称与标识

首选名称: 1-Tetralone
IUPAC: 3,4-dihydro-2H-naphthalen-1-one
中文名: 3,4-二氢-1(2H)-萘酮
英文名: 3,4-dihydronaphthalen-1-one
分子式: C10H10O
分子量: 146.1858

名称与别名

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

展开更多名称

3,4-二氢-1(2H)-萘酮3,4-dihydronaphthalen-1-one

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

数据库标识

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

性质

结构计算性质

XLogP: 2
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 162

实验与物化性质

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

Density1.0988 @ 16 °C/4 °C

Color/FormLIQUID

SolubilityINSOL IN WATER

Flash Point · 2 条

129 °C

265 °F

安全与法规

GHS分类

GHS Classification · 4 条

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.

危害信息

Regulatory Information · 3 条

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%)

毒理信息

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.