基本情報
- CAS
571-58-4- 標準SMILES
Cc1ccc(C)c2ccccc12- InChIKey
APQSQLNWAIULLK-UHFFFAOYSA-N- 分子式
- C12H12
- 平均分子量
- 156.22 g/mol
- 単同位体質量
- 156.09390038
概要
1,4-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 1 and 4.
名称と識別子
- 優先名称
- 1,4-Dimethylnaphthalene
- IUPAC
- 1,4-dimethylnaphthalene
- 現地名
- 1,4-ジメチルナフタレン
- 英語名
- 1,4-Dimethylnaphthalene
- 分子式
- C12H12
- 分子量
- 156.22
名称と別名
1,4-DIMETHYLNAPHTHALENE571-58-4Naphthalene, 1,4-dimethyl-DTXSID8035423BQH3S1I0SONSC-61779DTXCID6015423CHEBI:48609RefChem:73311209-335-91,4-Dimethylnapthalene1,4-DMN
名称をさらに表示
1,4-ジメチルナフタレン1,4-ジメチルナフタレン標準品１，４ジメチルナフタレン1,4‐ジメチルナフタレン標準品1,4-ジメチルナフタレン (1,4-DMN), IN ISOOCTANE (1000ΜG/ML)1,4-ジメチルナフタレン, 50 µg/mL in Toluene1,4-DimethylnaphthalinEthyl Acetate Impurity 41naphthalene,1,4-dimethyl-1,4-Dimethylnaphthalene >1,4-Dimethylnaphthalene,~99%1,4-DIMETHYLNAPHTHALENE 95+%1,4-DIMETHYLNAPHTHALENE OEKANAL1 4-DIMETHYLNAPHTHALENE OEKANAL 250 MG
MFCD000040371,4-dimethyl-naphthaleneCHEMBL362076EINECS 209-335-9UNII-BQH3S1I0SONSC 61779EPA Pesticide Chemical Code 055802NSC61779
データベース識別子
- CAS
571-58-4- PubChem CID
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 132
実験および物理化学的性質
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Pesticides
Plant Growth Regulators
Active substance -> EU Pesticides database: Approved
LogP4.22
Vapor Pressure0.0084 [mmHg]
Physical DescriptionClear red liquid; [MSDSonline]
Collision Cross Section129.4 Ų [M+H]+
物理化学的性質
- 融点
- -18 °C · -18 °C (lit.)
- 沸点
- 262 · 262-264 °C/751 mmHg (lit.)
- 比重(密度)
- 1.016 g/mL · 1.016 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.613(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P330, P331, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P330, P331, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Regulation (EC) No 396/2005 (amended)
2010/244/EU, Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2025/787, Reg. (EU) No 192/2014, Reg. (EU) No 540/2011
1,4-Dimethylnaphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [MSDSonline] See Naphthalene and 2-Methylnaphthalene.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4
安全データ
- wgk
- 3
- rtecs
- QJ4440000
- hs_code
- 2902.90.9000
- 化審法
- (4)-80
- 消防法
- 危-4-3-III
- safety_code
- 23-24/25
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 3Asp. Tox. 1Eye Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
応用分野
使用1,4-Dimethylnaphthalene is a polycyclic aromatic hydrocarbon (PAH) that has been found in dust particulate matter and is associated with activation of aryl hydrocarbon receptor as a major toxic mode of action in WB-F344 cell line. 1,4-Dimethylnaphthalene has been found to retard the development of epidermoid carcinomas in hamster buccal pouch. 1,4-Dimethylnaphthalene alters the genes associated with the maintenance of a G1/S phase block possibly through the induction of the cell cycle inhibitors KRP1 and KRP2 in potatoes.
上流・下流製品情報
下流製品
補足説明
定義ChEBI: A dimethylnaphthalene carrying methyl groups at positions 1 and 4.
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