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3-プロピルフェノール

3-Propylphenol

HCID 69302
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
621-27-2
標準SMILES
CCCc1cccc(O)c1
InChIKey
MPWGZBWDLMDIHO-UHFFFAOYSA-N
分子式
C9H12O
平均分子量
136.19 g/mol
単同位体質量
136.088815

名称と識別子

優先名称
3-Propylphenol
IUPAC
3-propylphenol
現地名
3-プロピルフェノール
英語名
3-n-Propylphenol
分子式
C9H12O
分子量
136.19

名称と別名

3-n-Propylphenol3-Propylphenol621-27-2m-PropylphenolPhenol, 3-propyl-1-Hydroxy-3-n-propylbenzene593R721CICNSC-46998DTXSID10211145RefChem:95384DTXCID10133636210-675-5
名称をさらに表示
3-プロピルフェノール3-n-プロピルフェノールm-n-Propylphenol3-Propylphenol, 99%
Phenol, m-propyl-3-propyl-phenolMFCD016321303-PropylphenoMETA-PROPYLPHENOL3-Propylphenol, AldrichCPRSCHEMBL216654CHEMBL467077

データベース識別子

CAS
621-27-2
PubChem CID
69302
DTXSID
DTXSID10211145
ChEMBL
CHEMBL467077
ChEBI
CHEBI:233241
UNII
593R721CIC
EC Number
210-675-5
Nikkaji
J134.393I

物性

構造計算による物性

XLogP
2.9
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
10
形式電荷
0
複雑度
90

実験および物理化学的性質

Kovats Retention Index · 2 件

1236;1285

2250;2246

物理化学的性質

融点
26 °C · 26°C
沸点
229 · 229-231°C
比重(密度)
0.987 · 0.9870
屈折率
1.525 · 1.5250
闪点
229 · 229-231°C
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
10.07 · 10.07±0.10(Predicted)
外見
liquid
臭い (Odor)
トリュフ
水溶解度
水に溶ける。
InChI
1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
InChIKey
MPWGZBWDLMDIHO-UHFFFAOYSA-N
SMILES
CCCc1cccc(O)c1
LogP
3.062 · 3.062 (est)
EPAの化学物質情報
3 · Phenol, 3-propyl- (621-27-2)

化学的性質

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 · 5 件

Danger

H302+H312 (57.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (94.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (57.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (63.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (36.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (38.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (36.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (57.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 4 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

Regulatory Information · 2 件

Chemical: Phenol, 3-propyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the chemical is intended to be introduced at > 1% concentration;c. the concentration of the chemical exceeds or is intended to exceed 0.1% in leave-on cosmetic products, 0.4% in air fresheners and rinse-off cosmetic products and 0.7% in other household products;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

化学と産業

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing InformationPhenol, 3-propyl-: ACTIVE

応用分野

使用3-n-Propylphenol, is used to produce 2,4,5,6-tetrabromo-3-propylphenol. This reaction will need reagent bromine, aluminum powder.

サプライヤー61 社

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
Hebei Jingbo New Material Technology Co., Ltd+86-19931165850 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
HebeiShuoshengImportandExportco.,Ltd+86-18532138899 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业(陕西)有限公司

関連反応

8 件
反応記録を作成
HRID 120912 の反応式
HRID 120912反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 445426 の反応式
HRID 445426反応物としてuspto-grants-2013_07
HRID 602828 の反応式
HRID 602828反応物としてuspto-grants-2011_03
HRID 684306 の反応式
HRID 684306反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 865879 の反応式
HRID 865879生成物としてuspto-grants-1996_10
HRID 1517726 の反応式
HRID 1517726反応物としてuspto-grants-2012_07
HRID 2035411 の反応式
HRID 2035411反応物としてuspto-grants-2013_11
HRID 2389299 の反応式
HRID 2389299反応物としてuspto-grants-2012_09

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

化学的特性Liquid

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (94.1%);Acute Tox. 4 (57.4%);Skin Corr. 1C (63.2%);Skin Sens. 1B (36.8%);Eye Dam. 1 (38.2%);Acute Tox. 4 (36.8%);STOT SE 3 (57.4%)

法規制情報

Regulatory Information · 2 件

Chemical: Phenol, 3-propyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the chemical is intended to be introduced at > 1% concentration;c. the concentration of the chemical exceeds or is intended to exceed 0.1% in leave-on cosmetic products, 0.4% in air fresheners and rinse-off cosmetic products and 0.7% in other household products;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

wgk
3
tsca
TSCA listed
ridadr
3145
risk_code
20/21/22-36/37/38-34
hazard_code
C,Xn
safety_code
26-36/37/39-45
hazard_class
8
packing_group
III
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralSkin Corr. 1CSTOT SE 3
ストレージクラス
8A - Combustible corrosive hazardous materials
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Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
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