基本情報
- CAS
6738-23-4- 標準SMILES
COc1ccc(C)cc1C- InChIKey
UJCFZCTTZWHRNL-UHFFFAOYSA-N- 分子式
- C9H12O
- 平均分子量
- 136.19 g/mol
- 単同位体質量
- 136.088815
概要
2,4-Dimethylanisole is a member of methoxybenzenes.
名称と識別子
- 優先名称
- 2,4-Dimethylanisole
- IUPAC
- 1-methoxy-2,4-dimethylbenzene
- 現地名
- 1-メトキシ-2,4-ジメチルベンゼン
- 英語名
- 2,4-Dimethylanisole
- 分子式
- C9H12O
- 分子量
- 136.19
名称と別名
2,4-Dimethylanisole6738-23-41-Methoxy-2,4-dimethylbenzeneBenzene, 1-methoxy-2,4-dimethyl-4-METHOXY-M-XYLENEUNII-5V1B5L4GK65V1B5L4GK6EINECS 229-794-9NSC-137834AI3-21151FEMA NO. 3828UJCFZCTTZWHRNL-UHFFFAOYSA-
名称をさらに表示
4-メトキシ-m-キシレン2,4-ジメチルアニソール1-メトキシ-2,4-ジメチルベンゼン1,3-ジメチル-4-メトキシベンゼンメチル(2,4-ジメチルフェニル)エーテルFEMA 38282,4-Dimethylanisol2,4-Dimethylanisole,99%2 4-DIMETHYLANISOLE 97+%1,3-DIMETHYL-4-METHOXYBENZENE2,4-dimethylbenzenemethylether2,4-dimethyl-,1-methoxy-Benzene
DTXSID602177332,4-DIMETHYLANISOLE [FHFI]NSC 137834RefChem:82525DTXCID10140224229-794-9InChI=1/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3UJCFZCTTZWHRNL-UHFFFAOYSA-N
データベース識別子
- CAS
6738-23-4- PubChem CID
- 81221
- DTXSID
DTXSID60217733
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 9.2 Ų
- 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
- 10
- 形式電荷
- 0
- 複雑度
- 101
実験および物理化学的性質
SpringerMaterials PropertiesDiamagnetic susceptibility
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.963-0.967
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Slightly soluble in water, Miscible in oils
soluble (in ethanol)
Boiling Point
191.00 to 193.00 °C. @ 760.00 mm Hg
193 °C
Refractive Index1.512-1.516
Physical DescriptionColourless liquid; spicy, herbaceous aroma
物理化学的性質
- 沸点
- 191 °C · 191 °C(lit.)
- 比重(密度)
- 0.973 g/mL · 0.973 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.514(lit.)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 69.5% (89 of 128) of all reports.
Danger
H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesAcute Tox. 4 (30.5%)
安全データ
- wgk
- 3
- ridadr
- 3271
- hs_code
- 29093090
- risk_code
- 36/37/38-41-37/38-22
- hazard_code
- Xn
- safety_code
- 24/25-26
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
応用分野
用途有機合成原料。
天然物の起源Reported found in Camembert cheese.
上流・下流製品情報
上流原料
下流製品
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関連反応
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化合物ノート
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