2-フェノキシプロパノール

2-Phenoxy-1-propanol

HCID 20129CAS 4169-04-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(CO)Oc1ccccc1
InChIKey: LOJHHQNEBFCTQK-UHFFFAOYSA-N
分子式: C9H12O2
平均分子量: 152.19 g/mol
単同位体質量: 152.08372962

名称と識別子

優先名称: 2-Phenoxy-1-propanol
IUPAC: 2-phenoxypropan-1-ol
現地名: 2-フェノキシプロパノール
英語名: 2-Phenoxypropanol
分子式: C9H12O2
分子量: 152.19

名称と別名

2-Phenoxypropanol4169-04-42-Phenoxy-1-propanol1-PROPANOL, 2-PHENOXY-2-Phenoxypropyl alcoholDTXSID7029665716K0675WCDTXCID909665RefChem:477960224-027-42-phenoxypropan-1-olMFCD00142958

名称をさらに表示

2-フェノキシプロパノール2-フェノキシ-1-プロパノール2フェノキシプロパノ-ル１メチル２ヒドロキシエチルフェニルエテルプロピレングリコール 2-モノフェニルエーテル2-phenoxy-1-propano2-Phenoxypropanol>dowanolpphglycolether2-PHENOXYPROPANOL 96+%2-(phenoxy)propan-1-ol2-phenoxypropylalcoholDowanol pph glycol ether

BRN 2085744SCHEMBL120055UNII-716K0675WCTox21_200782NCGC00248831-01NCGC00258336-01AS-47960CS-0213244

データベース識別子

CAS: 4169-04-4
PubChem CID: 20129
DTXSID: DTXSID7029665
ChEMBL: CHEMBL3186734
ChEBI: CHEBI:229364
UNII: 716K0675WC
EC Number: 224-027-4
Nikkaji: J38.244B

物性

構造計算による物性

XLogP: 1.6
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 97

実験および物理化学的性質

Kovats Retention Index2131

物理化学的性質

沸点: 244 °C · 244°C
比重(密度): 1 · 1,07 g/cm3
屈折率: 1.524 to · 1.5240 to 1.5270
酸解離定数(Pka): 14.24 · 14.24±0.10(Predicted)
外見: clear liquid
色: Colorless to Light yellow
EPAの化学物質情報: 2 · 2-Phenoxy-1-propanol (4169-04-4)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.6% (3 of 185) of reports.

Danger

H318 (98.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 185 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 3 of 185 reports by companies.；There is 1 notification provided by 182 of 185 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 件

Chemical: 1-Propanol, 2-phenoxy-

1-Propanol, 2-phenoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesEye Dam. 1 (98.4%)

法規制情報

Regulatory Information · 2 件

Chemical: 1-Propanol, 2-phenoxy-

1-Propanol, 2-phenoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

tsca: TSCA listed
rtecs: UB8886000
hs_code: 2909498090
化審法: (3)-560
消防法: 危-4-3-III
safety_code: 23-24/25

化学と産業

用途と製造

General Manufacturing Information1-Propanol, 2-phenoxy-: ACTIVE

応用分野

使用2-Phenoxylpropanol can be used in post chemical mechanical polishing cleaners. This compound has also shown to have an improved quantum yield as a semi-conductor light emitting nanoparticle.