6-Acetyltetralin (HCID 69885)

名称と識別子

優先名称: 6-Acetyltetralin
IUPAC: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
現地名: 6-アセチル-1,2,3,4-テトラヒドロナフタレン
英語名: 6-Acetyltetrahydronaphthalene
分子式: C12H14O
分子量: 174.24

名称と別名

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

名称をさらに表示

1-[(5,6,7,8-テトラヒドロナフタレン)-2-イル]エタノン6-アセチル-1,2,3,4-テトラヒドロナフタレン2-アセチル-5,6,7,8-テトラヒドロナフタレン1-(5,6,7,8-テトラヒドロナフタレン-2-イル)エタノン6-アセチルテトラリンacetyl 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-

データベース識別子

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

物性

構造計算による物性

XLogP: 3
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: 1
重原子数: 13
形式電荷: 0
複雑度: 197

実験および物理化学的性質

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

物理化学的性質

融点: -21 °C · -21°C
沸点: 119 · 119-121°C 2mm
比重(密度): 1 · 1,058 g/cm3
蒸気圧: 0.093 · 0.093-0.18Pa at 20-25℃
屈折率: 1.561 · 1.5610
闪点: 119 · 119-121°C/2mm
貯蔵温度: 2 · 2-8°C
外見: liquid
臭い (Odor): 100 %で。フローラルオレンジフラワームスクグレープ · 100.00%で。フローラルオレンジフラワームスクグレープ
においのタイプ: 花柄
水溶解度: 水にわずかに溶ける。
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℃
CAS データベース: 774 · 774-55-0(CAS DataBase Reference)
EPAの化学物質情報: 1 · Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)- (774-55-0)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
risk_code: 22-51/53
hazard_code: Xn,N
safety_code: 61
hazard_class: 9
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

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

応用分野 · 1 件

使用6-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.