6-아세틸테트라히드로나프탈렌

6-Acetyltetralin

HCID 69885CAS 774-55-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc2c(c1)CCCC2
InChIKey: VEPUKHYQNXSSKV-UHFFFAOYSA-N
분자식: C12H14O
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.10446507

이름 및 식별자

우선 이름: 6-Acetyltetralin
IUPAC: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
현지명: 6-아세틸테트라히드로나프탈렌
영어명: 6-Acetyltetrahydronaphthalene
분자식: C12H14O
분자량: 174.24

이름 및 동의어

774-55-01-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone6-Acetyltetralin6-ACETYL-1,2,3,4-TETRAHYDRONAPHTHALENE6-Acetyl tetralinEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-DTXSID0047163UNII-6L3DBR6DE66L3DBR6DE6FLORANTON2-acetyl-5,6,7,8-tetrahydronaphthaleneNSC 5179

이름 더 보기

6-아세틸테트라히드로나프탈렌acetyl tetralinAKOS BBS-000067752-Acetyl-5,6,7,8-T1-tetralin-6-ylethanone6-Acetyltetrahydronaphthalene6-ACETYLTETRAHYDRONAPHTHALENE 97%5,6,7,8-TETRAHYDRO-2-ACETONAPHTHONEAcetyl-1,2,3,4-tetrahydronaphthalene

NSC-5179EINECS 212-266-71-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-oneAI3-10031DTXCID80271635',6',7',8'-Tetrahydro-2'-acetonaphthone5,6,7,8-TETRAHYDRONAPHTH-2-YL METHYL KETONE2'-ACETONAPHTHONE, 5',6',7',8'-TETRAHYDRO-

데이터베이스 식별자

CAS: 774-55-0
PubChem CID: 69885
DTXSID: DTXSID0047163
ChEMBL: CHEMBL3188542
UNII: 6L3DBR6DE6
EC Number: 212-266-7
Nikkaji: J193.160A

물성

구조 계산 물성

XLogP: 3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 197

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone) -> IFRA transparency List

물리화학적 성질

녹는점: -21 °C · -21°C
끓는 점: 119 · 119-121°C 2mm
밀도: 1 · 1,058 g/cm3
증기압: 0.093 · 0.093-0.18Pa at 20-25℃
굴절률: 1.561 · 1.5610
인화점: 119 · 119-121°C/2mm
저장 조건: 2 · 2-8°C
물리적 상태: liquid
냄새: 100 %에서 · 100.00%에서. 꽃무늬 오렌지플라워 머스크 포도
냄새 유형: 꽃향기
수용성: 물에 약간 용해됩니다.
BRN: 1241458 · 1241458
InChI: 1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3
InChIKey: VEPUKHYQNXSSKV-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc2CCCCc2c1
LogP: 3.4 at · 3.4 at 35℃
EPA: 1 · Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)- (774-55-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 76.9% (223 of 290) of all reports.

Warning

H302 (14.1%): 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 290 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 25-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24384

Other Safety InformationIMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment

Hazard Classes and CategoriesAcute Tox. 4 (14.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
risk_code: 22-51/53
hazard_code: Xn,N
safety_code: 61
위험 등급: 9
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-: ACTIVE

응용 분야 · 1건

용도6-Acetyl-1,2,3,4-tetrahydronaphthalene, is used asa novel methyl anthranilate yet extremely stable and resistant to discoloration. It is used in liquid detergent, concentrated fabric softner, alcoholic fine fragrances, antiperspirants. It is also used as a pharmaceutical intermediate.