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1-ブトキシ-2-プロパノール

n-Butoxy-2-propanol

HCID 21210
ノート反応
基本情報概要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
5131-66-8
標準SMILES
CCCCOCC(C)O
InChIKey
RWNUSVWFHDHRCJ-UHFFFAOYSA-N
分子式
C7H16O2
平均分子量
132.2 g/mol
単同位体質量
132.11502975

概要

propylene glycol 1-butyl ether has been reported in Cedronella canariensis with data available.

名称と識別子

優先名称
n-Butoxy-2-propanol
IUPAC
1-butoxypropan-2-ol
現地名
1-ブトキシ-2-プロパノール
英語名
1-BUTOXY-2-PROPANOL
分子式
C7H16O2
分子量
132.2

名称と別名

n-Butoxy-2-propanolRefChem:752411-Butoxy-2-propanol1-Butoxypropan-2-ol5131-66-82-PROPANOL, 1-BUTOXY-n-Butoxypropanol2-Hydroxy-3-butoxypropanePropasol solvent BPropylene glycol n-butyl ether1,2-Propylene glycol 1-monobutyl etherPropylene Glycol 1-Monobutyl Ether
名称をさらに表示
1-ブトキシ-2-プロパノールプロピレングリコールモノブチルエーテル3-ブトキシ-2-プロパノールプロピレングリコール1-モノブチルエーテルプロピレングリコールα-モノ-n-ブチルエーテル1ブトキシ2プロパノル1,2-プロピレングリコール-1-モノブチルエーテル1‐ブトキシ‐2‐プロパノールプロピレングリコールブチルエーテル1-ブトキシプロパン-2-オールPNBPROPYLENE GLYCOL MONOBUTYL ETHERSolvenon PnBARCOSOLV(R) PNBDOWANOL(R) PnBpropasolsolventb
NSC 2211DTXSID8027589MFCD00021904K0MR13CZ2EPropanol, 1(or 2)-butoxy-propylene glycol 1-butyl etherNSC-2211EINECS 225-878-4

データベース識別子

物性

構造計算による物性

XLogP
1.1
極性表面積
29.5 Ų
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
5
重原子数
9
形式電荷
0
複雑度
54.9

実験および物理化学的性質

SolventsSolvents -> Glycol Ethers (P Series)
CosmeticsHumectant
FragrancesFragrance Ingredient (Propylene glycol butyl ether) -> IFRA transparency List
LogP · 2 件

1.15 (calculated)

1.15

DensityRelative density (water = 1): 0.879 (25 °C)
Viscosity2.9 cSt at 25 °C
SolubilitySolubility in water, g/100ml: 6 (moderate)
Flash Point63 °C c.c.
Boiling Point171 °C
Vapor DensityRelative vapor density (air = 1): 4.55
Vapor Pressure · 2 件

1.4 [mmHg]

Vapor pressure, kPa at 25 °C: 0.187

Physical Description · 3 件

CBI; Liquid

Colorless liquid; [ICSC] Odor of ether; [Dow Chemical MSDS]

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 · 6 件

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3894) of reports.

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 4 件

Chemical: 2-Propanol, 1-butoxy-

2-Propanol, 1-butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-butoxy- 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)

REACH registered substance: 1-butoxypropan-2-ol (EC: 225-878-4)

2-Propanol, 1-butoxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Propanol, 1-butoxy-: Environment tier I assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 63 °C explosive vapour/air mixtures may be formed.
Hazards Summary · 1 件

Adverse effects in animal studies include adaptive liver changes and reversible CNS depression, but no hematological, genotoxic, or carcinogenic effects; [ToxPlanet: ECETOC] A skin and eye irritant; [ICSC] May cause moderate skin and eye irritation; May cause mild, reversible corneal injury; [Dow Chemical MSDS] See Dipropylene glycol n-butyl ether.

EC ClassificationSymbol: Xi; R: 36/38; S: (2)
EPA Safer Chemical

化学と産業

用途と製造

Uses · 2 件

Propylene series glycol ethers are used in surface coatings, leather, pesticides, electrical, industrial cleaners, resins, and printing inks; [ECETOC] Used as a coupling agent and solvent (degreasers, paint removers, metal cleaners, and hard surface cleaners), coalescent (latex coatings), coupling agent (water-based agricultural formulations), and chemical intermediate (epoxides, acid ester derivatives, solvents, and plasticizers); [OECD SIDS: Propylene Glycol Ethers - 2003]

Metal Degreasing [Category: Clean]

U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesCorrosion inhibitor
Industry UsesDispersing agent
Household ProductsInformation on 234 consumer products that contain Propylene glycol butyl ether in the following categories is provided:
Use Classification · 4 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Fragrance Ingredients

Cosmetics -> Humectant

General Manufacturing Information · 2 件

Wholesale and Retail Trade

2-Propanol, 1-butoxy-: ACTIVE

応用分野 · 3 件

用途塗料用溶剤

使用1-Butoxy-2-propanol can be used in household and industrial cleaners, grease paint removers, metal cleaners, etc.

一般的な説明Propylene glycol n-butyl ether, also known as n-butyl propyl ether or PnP, is a solvent with diverse industrial applications.

関連反応

1 件
反応記録を作成
HRID 2317283 の反応式
HRID 2317283反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

化合物ノート

読み込み中…

このページの内容基本情報概要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
CAS
5131-66-8
PubChem CID
21210
DTXSID
DTXSID8027589
ChEMBL
CHEMBL1903014
UNII
K0MR13CZ2E
EC Number
225-878-4
Nikkaji
J50.955H

CLEAR COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

物理化学的性質

融点
-15.45 °C · -15.45°C (estimate)
沸点
170 °C · 170 °C
比重(密度)
0 · 0,88 g/cm3
蒸気圧
1.39 hPa · 1.39hPa at 19.85℃
屈折率
20 · n20/D 1.416(lit.)
闪点
62 °C · 62°C
貯蔵温度
Store at room temperature
溶解性
Soluble in water
外見
clear liquid
酸解離定数(Pka)
14.49 · 14.49±0.20(Predicted)
色
Colorless to Almost colorless
臭い (Odor)
Ether-like odor
臭気閾値(Odor Threshold)
0.16 ppm · 0.16ppm
水溶解度
55 g/L · 55g/L at 20℃
Henry's Law Constant
5 · 5.0×100 mol/(m3Pa) at 25℃, Wang et al. (2017)
化粧品成分の機能
粘度制御溶媒保湿剤
InChI
1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey
RWNUSVWFHDHRCJ-UHFFFAOYSA-N
LogP
1.2 at · 1.2 at 20℃
CAS データベース
5131 · 5131-66-8(CAS DataBase Reference)
EPAの化学物質情報
1 · 1-Butoxy-2-propanol (5131-66-8)
Chemical: Propylene glycol n-butyl ether
Chemical DangersThe substance can presumably form explosive peroxides. Reacts with strong oxidants.
Hazard Classes and Categories · 3 件

Skin Irrit. 2 (97.8%)

Eye irritation - category 2

Skin Irrit. 2

Explosive Limits and PotentialExplosive limits , vol% in air: 1.1 (at 80 °C) - 8.4 (at 145 °C)

安全と保護具

Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures · 4 件

Fresh air, rest.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

Safe StorageKeep in the dark. Separated from strong oxidants.
Spillage DisposalCollect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Then wash away with plenty of water.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 63 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation.
Effects of Short Term ExposureThe substance is irritating to the eyes and skin.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body through the skin and by ingestion.
Signs and Symptoms · 2 件

Redness. Pain.

Redness. Pain.

Toxicity DataLC50 (rat) > 3,520 mg/m3/4hr

安全データ

wgk
1
tsca
TSCA listed
rtecs
UA7700000
ridadr
1987
hs_code
2909.49.6000
risk_code
36/37/38-36/38
化審法
(2)-2424, (7)-97
消防法
危-4-2-III
hazard_code
Xi
safety_code
26-36/37/39
hazard_class
3.2
packing_group
III
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
ストレージクラス
3 - Flammable liquids

上流・下流製品情報

上流原料

ナトリウムブトキシド

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補足説明

定義本品は、ブタノール(*)とプロピレングリコール(PG(*))のエーテルであり、次の化学式で表される。R:プロピレングリコール(PG)残基参照表示名称:ブタノール, PG