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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 9016作成日：2026年10月27日

1,4-ジメトキシベンゼン

1,4-ジメトキシベンゼン · P-ジメトキシベンゼン · ヒドロキノンジメチルエーテル · ｐジメトキシベンゼン · 2,5-ジメトキシベンゼン · メチル4-メトキシフェニルエーテル · 4-メトキシアニソール · dimethoxybenzene

https://huagongshe.com/ja/chemical/9016

1,4-ジメトキシベンゼン の分子構造式

識別子と物理属性

CAS No.150-78-7
分子式C8H10O2
平均分子量138.16 g/mol
単同位体質量138.06807956 g/mol
SMILESCOc1ccc(OC)cc1
InChIKeyOHBQPCCCRFSCAX-UHFFFAOYSA-N
PubChem CID9016
ChEMBLCHEMBL1668604
ChEBICHEBI:179261
EC No.205-771-9
DTXSIDDTXSID0022014
現地名1,4-ジメトキシベンゼン

化学・物理的性質

XLogP2
極性表面積18.5
水素結合供与体数0
水素結合受容体数2
回転可能結合数2
重原子数10
形式電荷0
複雑度73.3
物質分類Other Classes -> Ethers, Other
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
香料Fragrance Ingredient (p-Dimethoxybenzene) -> IFRA transparency List
LogP（分配係数）log Kow = 2.032.04
臭いSWEET CLOVER ODORSWEET, NUT-LIKE AROMAジプロピレングリコール中1.00%。甘い緑の新刈り干し草フェンネル
味OILY, PHENOLIC TASTE
食品添加物FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
密度1.053 at 131 °F (NTP, 1992) - Denser than waterwill sink1.0526 @ 55 °C/55 °C1.053 g/mL at 25 °C(lit.)
香味料EU Flavoring substances
Viscosity1.04 CENTIPOISE @ 65 °C
Color/FormLEAFLETS FROM WATERWHITE FLAKES
溶解度Slightly soluble (NTP, 1992)SLIGHTLY SOL IN WATERVERY SOL IN ETHER, BENZENE1:10 IN 95% ALCOHOLSOL IN ACETONESolubility in water: noneSlightly soluble in waterジオキサン: 0.1 g/mL、透明0.8g/L(20℃)
融点54-56 °C(lit.)
沸点213 °C(lit.)
蒸気密度4.8 (vs air)
蒸気圧<1 mm Hg ( 20 °C)
屈折率1.5231 (estimate)
FEMA2386 | P-DIMETHOXYBENZENE
引火点98 °C
貯蔵条件Sealed in dry,Room Temperature
外観・状態結晶性粉末、結晶、またはフレーク
色白い
比重1.053
pH7 (H2O, 20℃)(saturated solution)
爆発限界1.2-5.6%(V)
においのタイプ緑
由来生物synthetic
JECFA Number1250
BRN774605
ヘンリー定数2.8×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
誘電率4.5(23℃)
安定性安定。可燃性。強力な酸化剤とは相容れない。
主な用途洗浄剤化粧品食品および飲料パーソナルケア
化粧品成分の機能香料
InChI1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKeyOHBQPCCCRFSCAX-UHFFFAOYSA-N
SMILESCOc1ccc(OC)cc1
LogP（分配係数）2.08 at 20℃
CAS データベース150-78-7(CAS DataBase Reference)
NISTの化学物質情報Benzene, 1,4-dimethoxy-(150-78-7)
EPAの化学物質情報p-Dimethoxybenzene (150-78-7)

化学的特性

white crystals or powder

安全性と法規制

GHS 分類This chemical does not meet GHS hazard criteria for 97.5% (1792 of 1838) of all reports.Not ClassifiedAggregated GHS information provided per 1838 reports by companies from 7 notifications to the ECHA C&L Inventory.
規制情報Chemical: Benzene, 1,4-dimethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2003Benzene, 1,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
火災危険Combustible. Finely dispersed particles form explosive mixtures in air.
有害性の概要Moderate skin irritantActs as general anesthetic in lethal-dose feeding studies of rats[RTECS] Safe as a flavoring agent in food[JECFA] Emergency treatment: see Hydroquinone and Quinone. [HSDB] No listed effects of short-term or long-term exposureInsufficient data are available on the effect of this substance on human health, therefore utmost care must be taken. [ICSC] An irritant[MSDSonline]
反応性グループEthers
Special ReportsOPDYKE DL JFOOD COSMET TOXICOL 16 (1): 715 (1978). REVIEW WITH 18 REFERENCES ON DIMETHYLHYDROQUINONE INCLUDING TOXICITY, IRRITATION, SENSITIZATION, DEPIGMENTATION, METAB & PHARMACOLOGY.
Reactivity Profile1,4-DIMETHOXYBENZENE is an ether. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
Chemical DangersReacts with strong oxidants.
Physical DangersDust explosion possible if in powder or granular form, mixed with air.
Air and Water ReactionsSlightly water soluble (NTP, 1992).
Hazard Classes and CategoriesNot Classified

用途

用途

有機合成原料、香料材料。

天然物の起源

Reported found in hyacinth (Hyacinthus orientalis L.) essential oil, Rhodophyllus icterius, papaya, peppermint oil, green tea, cherimoya and cooked shrimp

使用

1,4-Dimethoxybenzene is used as Pharmaceutical Intermediate. It is used in some paints and as a diazo dye. It is also used in perfumes and flavors in order to its floral odor. In addition, it is used on greasy skin, and with sulfur to treat acne, or as a dandruff treatment.

一般的な説明

Colorless crystals.

製法・合成法

製造方法

By methylation of hydroquinone using dimethyl sulfate and alkali.

純化方法

Steam distil 1,4-dimethoxybenzene, then crystallise it from hexane or *benzene, and from MeOH or EtOH, but these are wasteful due to high solubilities. Dry it under vacuum. It also sublimes under vacuum. [Beilstein 6 IV 5718.]

Explosive Limits and PotentialExplosive limits , vol% in air: 1.2-5.6
消火Use water spray, powder, alcohol-resistant foam, carbon dioxide.
応急処置措置Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth.
応急処置EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
安全保管Separated from strong oxidants.
非火災時の漏出対応SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
漏出処分Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Ventilation. Remove all ignition sources. Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. NO contact with combustible substances. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
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.
生態毒性値LC50 Pimephales promelas (fathead minnow) 117 mg/l 96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/l calcium carbonate , temp: 25 + or - 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation
環境中動態TERRESTRIAL FATE: An estimated Koc of 300(1,SRC), calculated from an experimental log Kow of 2.03(2,SRC), suggests that hydroquinone dimethyl ether will have moderate mobility in soil(SRC), based upon a recommended classification scheme(3). Hydroquinone dimethyl ether may volatilize from moist soil surfaces based on an estimated Henry's Law constant of 3.5X10-3 atm-cu m/mole(4,SRC). It may volatilize from dry soil surfaces based on an estimated vapor pressure of 8.7X10-2 mm Hg(5,SRC). Incomplete information is available regarding the biodegradation potential of hydroquinone dimethyl etherhowever, this compound was completely biodegraded within eight days under aerobic conditions using a mixed soil population(6)another soil isolate was unable to biodegrade this compound(7).AQUATIC FATE: Hydroquinone dimethyl ether is expected to volatilize from water surfaces based on an estimated Henry's Law constant of 3.54X10-3 atm-cu m/mole(1,SRC). The volatilization half-life from a model river was estimated as 4 hours and from a model lake, 5 days(2,SRC) Photooxidation half-lives of 60 hours for continuous sunlight on the water's surface and 150 hours of continous sunlight at a 1 meter depth was measured for hydroquinone dimethyl ether in natural water(3). An estimated BCF value of 20(2,SRC), calculated from an experimental log Kow(4), indicates that hydroquinone dimethyl ether should not bioconcentrate in aquatic organisms(2,SRC). Incomplete information is available regarding the biodegradation potential of hydroquinone dimethyl ether, however, this compound was completely biodegraded within eight days under aerobic conditions using a mixed soil population(5)another soil isolate was unable to biodegrade this compound(6).ATMOSPHERIC FATE: Based on an estimated vapor pressure of 8.7X10-2 mm Hg at 25 °C(1,SRC), hydroquinone dimethyl ether will exist mainly in the vapor phase(2,SRC). Hydroquinone dimethyl ether will degrade in the vapor phase by reaction with photochemically produced hydroxyl radicals (5X10+5 hydroxyl radicals per cu cm) with an estimated half-life of about 19 hours(3,SRC).
有害作用Neurotoxin - Acute solvent syndrome
暴露経路The substance can be absorbed into the body by inhalation.
毒性の概要IDENTIFICATION AND USE: Hydroquinone dimethyl ether exists as white flakes or leaflets. It has a sweet clover or nut like odor and has an oily phenolic taste. It is slightly soluble in watervery soluble in ether, benzene, alcohol and acetone. It is used as a flavoring agent, weathering agent in paints and plastics, and as a fixative in perfumes, also used in dyesresin intermediates, and in cosmetics, and flavoring agent. HUMAN EXPOSURE AND TOXICITY: Chronic neurotoxic effects include vision disturbances. Exposure to this chemical could result from industrial handling. ANIMAL STUDIES: In female rats fed a diet containing this chemical at a concentration of 2% or greater produced questionable results on growth. In dogs fed hydroquinone ethers only minor body weight loss was noted. A solution in olive oil containing this chemical caused a slight or moderate irritation to Guinea pig skin.
Effluent ConcentrationsHydroquinone dimethyl ether was detected in one occurrence in the wastewater from a petroleum refining company at unreported concentrations(1).
Soil Adsorption/MobilityBased on an experimental log Kow of 2.03(1), the Koc of hydroquinone dimethyl ether is estimated as approximately 300 using a regression-derived equation(2,SRC). According to a suggested classification scheme(3), this estimated Koc value suggests that hydroquinone dimethyl ether will have moderate mobility in soil(SRC).
Natural Pollution SourcesREPORTED FOUND IN HYACINTH (HYACINTHUS ORIENTALIS L) ESSENTIAL OIL & IN RHODOPHYLLUS ICTERIUS.
Human Toxicity ExcerptsCell lines Raji and K 562, lacking tyrosinase, and two melanotic human melanoma cell lines (IRE 1 and IRE 2), were exposed to concentrations from 5 X 10(-3) M to 10(-51 M of different phenols which are substrates of tyrosinase, ie 1-dopa, dopamine, hydroquinone, tertbutylcatechol, and of phenols which are not substrates of the tyrosinase ie resorcinol butylated hydroxyanisole and hydroquinone dimethyl ether. Cultures were carried out in the presence or in the absence of oxygen radical scavenger enzymes superoxide dismutase catalase and peroxidase. The stability of each substance in culture medium was assayed by high performance liquid chromatography. Results showed that: catechols which are substrates of tyrosinase decompose fully after 24 hr in mediumthey are equally toxic for melanona and non-melanoma cell linestheir toxicity is significantly reduced by addition of scavenger enzymeson the contrary phenols not substrates of tyrosinase are stable in medium and their toxicity is not reduced by scavenger enzynes. Tyrosinase does not play a major role in catechol toxicity in vitro.Chronic neurotoxic effects include vision disturbances. /From table/ /Quinones/
Artificial Pollution SourcesHydroquinone dimethyl ether's production and subsequent use as a weathering agent in paints and plastics, as a fixative in perfumes and in cosmetics, as an intermediate in the production of dyes and resins, and as a flavoring(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationEight days were required to completely degrade hydroquinone dimethyl ether using a mixed soil population, as measured by loss of UV absorbance (indicates ring cleavage)(1). Hydroquinone dimethyl ether, when present as the sole carbon source, was not utilized by a bacterial soil isolate for growth over 30 days(2).
Environmental BioconcentrationAn estimated BCF value of 20 was calculated for hydroquinone dimethyl ether(SRC), using an experimental log Kow of 2.03(2) and a recommended regression-derived equation(1). This BCF value suggests that hydroquinone dimethyl ether will not bioconcentrate in aquatic organisms(SRC).
水環境危害等級（WGK）1
TSCA 収載状態TSCA listed
RTECS 番号CZ6650000
税関コード29093090
危険文句（R）36/37/38
化審法(3)-582
危険表示Xi
安全措置（S）26-36-24/25
自然発火温度1463 °F
貯蔵分類11 - Combustible Solids
有害物質データ150-78-7(Hazardous Substances Data)