基本情報
- CAS
5343-92-0- 標準SMILES
CCCC(O)CO- InChIKey
WCVRQHFDJLLWFE-UHFFFAOYSA-N- 分子式
- C5H12O2
- 平均分子量
- 104.15 g/mol
- 単同位体質量
- 104.08372962
概要
structure in first source
名称と識別子
- 優先名称
- 1,2-Pentanediol
- IUPAC
- pentane-1,2-diol
- 現地名
- 1,2-ペンタンジオール
- 英語名
- 1,2-Pentanediol
- 分子式
- C5H12O2
- 分子量
- 104.15
名称と別名
1,2-Pentanediol5343-92-0Pentylene glycol1,2-Dihydroxypentane50C1307PZGDTXSID10863522NSC-513RefChem:860099DTXCID80812123226-285-3Pentane-1,2-diolMFCD00010736
名称をさらに表示
1,2-ペンタンジオールペンタン-1,2-ジオール1,2-ペンタンジオル1,2-ペンタンジオ-ル1,2-ジヒドロキシペンタンPTD1,2-Pentanediol,97%Pentanediol,98%1,2-Pentanediol TDS free sample MSDS2-Pentanediol1,2-Pentanedi1,2 PentandiolPENTANDIOL-1,2
1,a2-aPentanediolUNII-50C1307PZGNSC 513(R)-1,2-Pentanediol1,2-Pentanediol,(2S)-WCVRQHFDJLLWFE-UHFFFAOYSA-EC 226-285-3PENTYLENE GLYCOL [WHO-DD]
データベース識別子
- CAS
5343-92-0- PubChem CID
- 93000
- DTXSID
DTXSID10863522- UNII
- 50C1307PZG
- EC Number
- 226-285-3
- Nikkaji
- J112.123E
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 37.1
実験および物理化学的性質
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (Pentylene Glycol) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (1,_2-_Pentanediol) -> IFRA transparency List
Physical Description
Liquid
Yellow hygroscopic liquid; [Acros Organics MSDS]
物理化学的性質
- 融点
- 50.86 °C · 50.86°C (estimate)
- 沸点
- 206 °C · 206 °C (lit.)
- 比重(密度)
- 0.971 g/mL · 0.971 g/mL at 25 °C (lit.)
- 蒸気圧
- 1.5 Pa · 1.5Pa at 20℃
- 屈折率
- 20 · n20/D 1.439(lit.)
- 闪点
- 104 °C · 104 °C
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- Chloroform (Soluble), Methanol (Slightly)
- 外見
- 液体
- 酸解離定数(Pka)
- 14.49 · 14.49±0.20(Predicted)
- 色
- 無色透明～薄黄色
- 水溶解度
- 混和性
- BRN
- 1732199 · 1732199
- Henry's Law Constant
- 1.4 · 1.4×103 mol/(m3Pa) at 25℃, Compernolle and Müller (2014)
- 化粧品成分の機能
- スキンコンディショニング溶媒
- InChI
- 1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3
- InChIKey
- WCVRQHFDJLLWFE-UHFFFAOYSA-N
- SMILES
- CCCC(O)CO
- LogP
- 0.06 at · 0.06 at 25℃
- CAS データベース
- 5343 · 5343-92-0(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,2-Pentanediol (5343-92-0)
化学的性質
化学的特性CLEAR COLOURLESS TO SLIGHTLY YELLOW OILY LIQUID
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
This chemical does not meet GHS hazard criteria for 6.5% (62 of 958) of reports.
Danger
H304 (46.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264+P265, P280, P301+P316, P305+P354+P338, P317, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 958 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1,2-Pentanediol
1,2-Pentanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Pentanediol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Pentane-1,2-diol (EC: 226-285-3)
1,2-Pentanediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards Summary
Causes somnolence, excitement, and muscle weakness in oral lethal-dose studies of guinea pigs, mice, rabbits, and rats; [RTECS] May cause serious eye injury; [ECHA REACH Registrations] May cause irritation; [Acros Organics MSDS] See 3-Pentanol.
EPA Safer ChemicalChemical: Pentylene glycol
Hazard Classes and CategoriesAsp. Tox. 1 (46.8%)
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
安全データ
- F
- 3
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SA0455000
- hs_code
- 2905399590
- risk_code
- 36/38
- 化審法
- (2)-240
- 消防法
- 危-4-3-III
- safety_code
- 24/25
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Uses
CIR ingredient: Pentylene Glycol
Used to make fine chemicals, in industrial and professional cleaning and maintenance products, and in consumer washing and cleaning products, air care products, polishes and wax blends, inks and toners, and cosmetics and personal care products; [ECHA REACH Registrations]
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesOther
Household ProductsInformation on 32 consumer products that contain Pentylene Glycol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,2-Pentanediol: ACTIVE
応用分野
説明1,2-Pentanediol, also known as 1,2-dihydroxypentane, is a colorless and odorless liquid which is miscible with water and polar organic solvents. It is a chiral molecule with one stereocenter. The compound is usually made by treating a mixture of 1-pentene and formic acid with hydrogen peroxide at<100 ℃. An optically active R-enantiomer of 1,2-pentanediol can be prepared by fermentation.
使用1,2-Pentanediol is used in synthesizing quinoxalines from biomass-derived glycols. Also used in the synthesis of propiconazole (P770100) a fungicide as well as other antifungals.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
浙江荣大化工有限公司571-88086013 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏索腾新材料科技有限公司0510-86686637; 13806163055 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
補足説明
定義本品は、次の化学式で表される二価アルコールである。
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…