CAS 2785-87-7 4-Propylguaiacol (HCID 17739)

概要

Dihydroeugenol is a member of phenols and a member of methoxybenzenes.

名称と識別子

優先名称: 4-Propylguaiacol
IUPAC: 2-methoxy-4-propylphenol
現地名: 2-メトキシ-4-プロピルフェノール
英語名: Dihydroeugenol
分子式: C10H14O2
分子量: 166.22

名称と別名

2-METHOXY-4-PROPYLPHENOL2785-87-7Dihydroeugenol4-PropylguaiacolPhenol, 2-methoxy-4-propyl-GuaiacylpropaneCerulignolCoerulignolp-Propylguaiacol4-Propyl-2-methoxyphenolp-n-Propylguaiacol(4-Hydroxy-3-methoxyphenyl)propane

名称をさらに表示

2-メトキシ-4-プロピルフェノールジヒドロオイゲノール4-プロピル-2-メトキシフェノールグアイアシルプロパン4-プロピルグアイアコールFEMA 3598Dihydro Eugeno4-PROPYLGUAICOL

4-Hydroxy-3-methoxypropylbenzene1-Propyl-3-methoxy-4-hydroxybenzene1-(4-Hydroxy-3-methoxyphenyl)propaneFEMA No. 3598DTXSID2047199NSC-53043A3XE712277DTXCID0027199

データベース識別子

CAS: 2785-87-7
PubChem CID: 17739
DTXSID: DTXSID2047199
ChEMBL: CHEMBL3186884
ChEBI: CHEBI:167417
UNII: A3XE712277
EC Number: 220-499-0
Nikkaji: J15.754F

物性

構造計算による物性

XLogP: 2.2
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: 12
形式電荷: 0
複雑度: 125

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (2-Methoxy-4-propylphenol) -> IFRA transparency List

LogP2.390

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.034-1.040

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: 16 °C · 16°C
沸点: 125 · 125-126 °C14 mm Hg(lit.)
比重(密度): 1.038 g/mL · 1.038 g/mL at 25 °C(lit.)
蒸気圧: 3 Pa · 3Pa at 25℃
屈折率: 20 · n20/D 1.522(lit.)
FEMA: 3598 · 3598 | 2-METHOXY-4-PROPYLPHENOL
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): 10.04 · 10.04±0.18(Predicted)
臭い (Odor): 100 %で。クローブ · 100.00%で。クローブシャープスパイシー甘いフェノール系パウダリーオールスパイス
においのタイプ: 辛い
由来生物: synthetic
水溶解度: 1.1 g/L · 1.1g/L at 20℃
JECFA Number: 717 · 717
Henry's Law Constant: 4.3 · 4.3×100 mol/(m3Pa) at 25℃, McFall et al. (2020)
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3
InChIKey: PXIKRTCSSLJURC-UHFFFAOYSA-N
SMILES: CCCc1ccc(O)c(OC)c1
LogP: 2.8 at · 2.8 at 20℃
EPAの化学物質情報: 2 · Phenol, 2-methoxy-4-propyl- (2785-87-7)

化学的性質

化学的特性light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (97.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1817 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: Phenol, 2-methoxy-4-propyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Phenol, 2-methoxy-4-propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-methoxy-4-propyl- 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: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18941

Phenol, 2-methoxy-4-propyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (97.9%)

毒性情報

TreatmentTreat symptomatically and supportively. Do not induce vomiting. (L1610)

Health EffectsDermatitis (A2445).

Exposure RoutesDermal (L1609, A2445) ; eye contact (L1609, A2445) ; inhalation (L1609, A2445) ; oral (L1609, A2445)

Toxicity SummaryDihydroeugenol may cause allergic contact dermatitis via two different mechanisms: The poison ivy and the phenolic radical mechanisms (A2445).

Signs and SymptomsChoking, drowsiness, and respiratory disruptions after inhalation; irritation, and reddening of the eyes; skin irritation; queasiness, and stomach aches following ingestion(L1609, MSDS).

Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: SL8050000
ridadr: UN 2810 6.1/PG 3
risk_code: 24-38
hazard_code: T
safety_code: 36/37-45
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Irrit. 2Skin Sens. 1BSTOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesUsed as flavoring and fragrance ingredient (L1609).

U.S. Production2023: <75,000 lb

Consumer UsesFragrance

Industry UsesFragrance

IFRA Fragrance Standards · 6 件

2-Methoxy-4-propylphenol

Phenol, 2-methoxy-4-propyl-; 4-Propyl-ortho-methoxyphenol; 4-Propylguaicol; 5-Propyl-ortho-hydroxyanisole; Dihydroeugenol

IFRA_STD_191.pdf

49

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Household ProductsInformation on 7 consumer products that contain Dihydroeugenol in the following categories is provided:

応用分野 · 4 件

説明2-Methoxy-4-propylphenol has a warm, spicy, sweet, and slightly floral balsamic odor. It may be prepared by catalytic reduction of eugenol with a palladium- or platinum-black catalyst.

天然物の起源Reported found in rum, smoked fish, cured pork, cognac, malt whiskey, fermented tea, mushroom, rhubarb, dried bonito, cuttlefish and maté.

使用Potential applications include the profile enhancement of smoke flavors, clove, spicy nuances for cinnamon and pepper, vanilla, and fruit nuances.

一般的な説明2-Methoxy-4-propylphenol is a volatile phenolic flavor compound identified in Bordeaux wines, liquid smoke, karanda fruit{9 5} and oregano.

調製方法

製造方法By catalytic reduction of eugenol with a palladium- or platinum-black catalyst.

上流・下流製品情報

上流原料

Cyclohexene, 4-propyl-2-メトキシ-4-[(Z)-1-プロペニル]フェノール 4-プロピルシクロヘキサノール p-トルエンスルホニルヒドラジド 1-ベンジルオキシ-2-メトキシ-4-(1-プロペニル)ベンゼン (E)-1-ベンジルオキシ-2-メトキシ-4-(1-プロペニル)ベンゼン 2-メトキシ-4-[(E)-1-プロペニル]フェノールオイゲノール

下流製品

N-ブチルホルムアミド 3,4-ジメトキシフェノールプロピルシクロヘキサン 4-メチルシクロヘキサノール (cis-, trans-混合物)2,6-ジメトキシフェノール 4-プロピルフェノール 4-プロピル安息香酸

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化合物ノート

読み込み中…

2-メトキシ-4-プロピルフェノール

基本情報

概要