5,7-디메틸-1-테트라론

3,4-dihydro-5,7-dimethylnaphthalen-1(2H)-one

HCID 83619CAS 13621-25-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C)c2c(c1)C(=O)CCC2
InChIKey: UYJCNOMEGPDXMV-UHFFFAOYSA-N
분자식: C12H14O
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.10446507

이름 및 식별자

우선 이름: 3,4-dihydro-5,7-dimethylnaphthalen-1(2H)-one
IUPAC: 5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
현지명: 5,7-디메틸-1-테트라론
영어명: 5,7-Dimethyl-1-tetralone
분자식: C12H14O
분자량: 174.24

이름 및 동의어

13621-25-53,4-Dihydro-5,7-dimethylnaphthalen-1(2H)-one3,4-dihydro-5,7-dimethyl-1(2h)-naphthalenoneEINECS 237-104-2DTXSID50159734NSC 63113RefChem:486178DTXCID1082225237-104-25,7-Dimethyl-1-tetralone5,7-dimethyl-3,4-dihydronaphthalen-1(2h)-one5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

이름 더 보기

5,7-디메틸-1-테트라론7-diMethyl-4-dihydro-5AKOS BC-02915,7-Dimethyl-1-tetralone 97%

1(2H)-Naphthalenone, 3,4-dihydro-5,7-dimethyl-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-oneMFCD00001694NSC-631135,7-Dimethyltetralin-1-one5,7-Dimethyl-3,4-dihydro-1(2H)-naphthalenoneNSC631135,7-dimethyltetralone

데이터베이스 식별자

CAS: 13621-25-5
PubChem CID: 83619
DTXSID: DTXSID50159734
UNII: C9MMT5Y6ZU
EC Number: 237-104-2
Nikkaji: J110.714C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 209

물리화학적 성질

녹는점: 48 · 48-50 °C(lit.)
끓는 점: 98 · 98-100 °C0.2 mm Hg(lit.)
밀도: 0.954 · 0.9540 (rough estimate)
굴절률: 1.537 · 1.5370 (estimate)
인화점: 230 °F · >230 °F
물리적 상태: solid
InChI: 1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3
InChIKey: UYJCNOMEGPDXMV-UHFFFAOYSA-N
SMILES: Cc1cc(C)c2CCCC(=O)c2c1
NIST: 1 · 1(2H)-Naphthalenone, 3,4-dihydro-5,7-dimethyl-(13621-25-5)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2914390090
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도5,7-Dimethyl-1-tetralone was used in the synthesis of new coumarin derivatives. It was used in the synthesis of 5,7-dimethyl-1,2-naphthoquinones by microwave-assisted selenium dioxide oxidation reaction.