1-Tetralone

HCID 10724CAS 29059-07-2

기본 정보

표준 SMILES: O=C1CCCc2ccccc21
InChIKey: XHLHPRDBBAGVEG-UHFFFAOYSA-N
분자식: C10H10O
평균 분자량: 146.19 g/mol
단동위원소 질량: 146.07316494

이름 및 식별자

우선 이름: 1-Tetralone
IUPAC: 3,4-dihydro-2H-naphthalen-1-one
현지명: 3,4-디히드로나프탈렌-1-온
영어명: 3,4-dihydronaphthalen-1-one
분자식: C10H10O
분자량: 146.1858

이름 및 동의어

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

이름 더 보기

3,4-디히드로나프탈렌-1-온3,4-dihydronaphthalen-1-one

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2
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: 162

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

Density1.0988 @ 16 °C/4 °C

Color/FormLIQUID

SolubilityINSOL IN WATER

Flash Point · 2건

129 °C

265 °F

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

독성 정보

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.