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1-(2-ブトキシ-1-メチルエトキシ)プロパン-2-オール

Dipropylene glycol n-butyl ether

HCID 24752
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
29911-28-2
標準SMILES
CCCCOCC(C)OCC(C)O
InChIKey
CUVLMZNMSPJDON-UHFFFAOYSA-N
分子式
C10H22O3
平均分子量
190.28 g/mol
単同位体質量
190.15689456

名称と識別子

優先名称
Dipropylene glycol n-butyl ether
IUPAC
1-(1-butoxypropan-2-yloxy)propan-2-ol
現地名
1-(2-ブトキシ-1-メチルエトキシ)プロパン-2-オール
英語名
DI(PROPYLENE GLYCOL) BUTYL ETHER
分子式
C10H22O3
分子量
190.28

名称と別名

29911-28-21-(2-Butoxy-1-methylethoxy)propan-2-ol2-Propanol, 1-(2-butoxy-1-methylethoxy)-Dowanol DPnB1-(2-BUTOXY-1-METHYLETHOXY)-2-PROPANOLEINECS 249-951-5T6ECP5S4P4BRN 1743918SOLVENON DPNB5-Methyl-4,7-dioxaundecane-2-oldipropyleneglycol butyl etherJ50.956F
名称をさらに表示
5-メチル-4,7-ジオキサウンデカン-2-オール1-(2-ブトキシ-1-メチルエトキシ)プロパン-2-オールジプロピレングリコール-n-ブチルエーテル2-プロパノル, 1-(2-ブトキシ-1-メチルエトキシ)-ジプロピレングリコールモノブチルエーテルジプロピレングリコールブチルエーテルジプロピレングリコールモノブチルエーテル(異性体混合物)DPNBDIPROPYLENE GLYCOL MONOBUTYL ETHERDIPROPYLENE GLYCOL NORMAL BUTYL ETHERBUTYL PROPASOLDOWANOL(TM) DPNBbutyldipropasolsolventDipropylene glycol mono-n-butyl ether1-(2-butoxy-2-methylethoxy-2-propanol
Dipropylene glycol butyl ether1-(1-BUTOXY-2-PROPOXY)-2-PROPANOLDipropylene glycol n-butyl etherEC 249-951-54-01-00-02474 (Beilstein Handbook Reference)nButoxypropoxypropanolDPGBEnButoxymethylethoxypropanol

データベース識別子

CAS
29911-28-2、35884-42-5
PubChem CID
24752
DTXSID
DTXSID8027959
ChEMBL
CHEMBL3187219
UNII
T6ECP5S4P4
EC Number
249-951-5
Nikkaji
J50.956F

物性

構造計算による物性

XLogP
1.4
極性表面積
38.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
8
重原子数
13
形式電荷
0
複雑度
106

実験および物理化学的性質

SolventsSolvents -> Glycol Ethers (P Series)
FragrancesFragrance Ingredient (1-(2-Butoxypropoxy)-propan-2-ol) -> IFRA transparency List
LogP · 2 件

1.5

1.52

DensityRelative density (water = 1): 0.91
SolubilitySolubility in water, g/100ml at 20 °C: 5
Flash Point111 °C c.c.
Boiling Point230 °C
Vapor DensityRelative vapor density (air = 1): 6.6
Vapor Pressure · 2 件

0.04 [mmHg]

Vapor pressure, Pa at 20 °C: 6

Food Contact SubstancesFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description · 3 件

CBI; Dry Powder; Liquid

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

COLOURLESS 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 · 5 件

Not Classified

Aggregated GHS information provided per 1613 reports by companies from 5 notifications to the ECHA C&L Inventory.

Warning

H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P319, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: 2-Propanol, 1-(2-butoxy-1-methylethoxy)-

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

Status: Active Update: 24-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14152

Dipropylene glycol monobutyl ether: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Propanol, 1-(2-butoxy-1-methylethoxy)-: Human health tier I assessment
Fire HazardsCombustible.
Hazards Summary · 1 件

Possibly forms explosive peroxides; No listed effects of short-term or long-term exposure; [ICSC] No evidence of skin sensitization in study of 82 human volunteers; Signs of CNS and respiratory depression observed in oral lethal-dose study of mice; Increased relative liver weight (without corresponding histopathology) observed in 13-week dermal study of rats; No evidence of embryotoxicity or teratogenicity; [IUCLID] May cause mild eye irritation; Prolonged skin contact may cause mild irritation; [Dow Chemical MSDS] See GLYCOL ETHERS.

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; [ExPub: ECETOC] Used as a coupling agent (degreasers, paint removers, metal cleaners, and hard surface cleaners), coalescent (latex coatings), solvent (water-reducible coatings), 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 UsesCleaning agent
Industry UsesDispersing agent
Household ProductsInformation on 241 consumer products that contain Dipropylene glycol monobutyl ether in the following categories is provided:
Use Classification · 3 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

Fragrance Ingredients

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

2-Propanol, 1-(2-butoxy-1-methylethoxy)-: ACTIVE

応用分野

用途塗料?インキ溶剤、洗浄剤、作動油、冷媒、凍結防止剤

上流・下流製品情報

上流原料

ブトキシ プロパノル

関連反応

0 件
反応記録を作成

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…

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
Collision Cross Section150.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8027959]

物理化学的性質

沸点
222 · 222-232 °C(lit.)
比重(密度)
0.913 g/mL · 0.913 g/mL at 25 °C(lit.)
蒸気圧
4 Pa · 4Pa at 20℃
屈折率
20 · n20/D 1.426(lit.)
闪点
205 °F · 205 °F
貯蔵温度
Store at room temperature, keep dry and cool
外見
liquid
酸解離定数(Pka)
14.41 · 14.41±0.20(Predicted)
水溶解度
40 g/L · 40g/L at 25℃
安定性
安定。可燃性。強力な酸化剤とは相容れない。
InChI
InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKey
CUVLMZNMSPJDON-UHFFFAOYSA-N
SMILES
C(OC(C)COCCCC)C(O)C
LogP
1.52 at · 1.52 at 20℃
CAS データベース
29911 · 29911-28-2
EPAの化学物質情報
1 · 1-(2-Butoxy-1-methylethoxy)-2-propanol (29911-28-2)

化学的性質

化学的特性Colorless liquid

Chemical: Dipropylene glycol monobutyl ether
Chemical DangersThe substance can presumably form explosive peroxides. Reacts with strong oxidants.
Hazard Classes and Categories · 2 件

Not Classified

Specific target organ toxicity - Repeated exposure - Category 2 (respiratory system, liver)

Explosive Limits and PotentialExplosive limits , vol% in air: 0.6-20.4

安全と保護具

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media.
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 StorageSeparated 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 spectacles.
Fire PreventionNO open flames. NO contact with strong oxidizing agents.
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.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) > 2,040 mg/m3/4hr

安全データ

wgk
1
tsca
TSCA listed
rtecs
UA8200000
hs_code
29094990
化審法
一般化学物質
消防法
危-4-3-III
safety_code
24/25
ストレージクラス
10 - Combustible liquids
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