4-イソプロピルアニソール

4-Isopropylanisole

HCID 77783

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4132-48-3
標準SMILES: COc1ccc(C(C)C)cc1
InChIKey: JULZQKLZSNOEEJ-UHFFFAOYSA-N
分子式: C10H14O
平均分子量: 150.22 g/mol
単同位体質量: 150.10446507

名称と識別子

優先名称: 4-Isopropylanisole
IUPAC: 1-methoxy-4-propan-2-ylbenzene
現地名: 4-イソプロピルアニソール
英語名: 4-Isopropylanisole
分子式: C10H14O
分子量: 150.22

名称と別名

4-Isopropylanisole4132-48-31-Isopropyl-4-methoxybenzene4-Methoxycumenep-IsopropylanisoleAnisole, p-isopropyl-p-Methoxycumene1-methoxy-4-propan-2-ylbenzene4ZHK779KMXp-MethoxyisopropylbenzeneBenzene, 1-methoxy-4-(1-methylethyl)-1-methoxy-4-(1-methylethyl)benzene

名称をさらに表示

4-イソプロピルアニソールp-イソプロピルアニソール1-イソプロピル-4-メトキシベンゼンp-メトキシクメン4-メトキシ-1-イソプロピルベンゼンメチル(4-イソプロピルフェニル)エーテル1-メトキシ-4-イソプロピルベンゼン4-メトキシクメン4-イソプロピルアニソール, 98+%1-メトキシ-4-(プロパン-2-イル)ベンゼン4-Isopropylanisole 98%4-Isopropylanisole, 98+%2-(p-Methoxyphenyl)propane

EINECS 223-952-0ANISOLE, 4-ISOPROPYL-4-METHOXYISOPROPYLBENZENEDTXSID60194292RefChem:524329DTXCID70116783223-952-01-methoxy-4-(propan-2-yl)benzene

データベース識別子

CAS: 4132-48-3
PubChem CID: 77783
DTXSID: DTXSID60194292
UNII: 4ZHK779KMX
EC Number: 223-952-0
Nikkaji: J45.654C

物性

構造計算による物性

XLogP: 3.4
極性表面積: 9.2 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: 2
重原子数: 11
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 60 · 60-61 °C
沸点: 210 °C · 210 °C(lit.)
比重(密度): 0.935 g/mL · 0.935 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.504(lit.)
闪点: 183 °F · 183 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
比重: 0.935 · 0.935
BRN: 2080269 · 2080269
LogP: 3.72 · 3.720 (est)
CAS データベース: 4132 · 4132-48-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Isopropyl-4-methoxybenzene(4132-48-3)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (100%)；STOT SE 3 (50%)

安全データ

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 2909309090
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野

用途有機合成原料。

使用4-Isopropylanisole is an aromatic compound that is mainly used as a flavouring ingredient.

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化合物ノート

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