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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 6943생성일: 2026년 10월 26일

이소프로필페놀

이소프로필페놀 · isopropylphenol · 1-METHYLETHYLPHENOL · Phenol,(1-methylethyl)- · 25168-06-3 Isopropylphenol isomer mixture

https://huagongshe.com/ko/chemical/6943

이소프로필페놀 분자 구조식

식별자 및 물리적 특성

CAS No.25168-06-3
분자식C9H12O
평균 분자량136.19 g/mol
단동위원소 질량136.088815 g/mol
SMILESCC(C)c1ccccc1O
InChIKeyCRBJBYGJVIBWIY-UHFFFAOYSA-N
PubChem CID6943
ChEMBLCHEMBL30018
ChEBICHEBI:38506
EC No.201-852-8
DTXSIDDTXSID2044391
현지명이소프로필페놀

화학 및 물리적 성질

XLogP2.9
극성 표면적20.2
수소 결합 공여자 수1
수소 결합 수용자 수1
회전 가능 결합 수1
무거운 원자 수10
형식 전하0
복잡도98
LogP(분배 계수)2.88
밀도0.995 at 68 °F (USCG, 1999) - Less dense than waterwill float0.989-0.999
용해도slightly soluble in watermiscible (in ethanol)
인화점220 °F (USCG, 1999)
끓는 점417.2 °F at 760 mmHg (USCG, 1999)212.00 to 214.00 °C. @ 760.00 mm Hg213-214 °C200-230 °C
녹는점62.6 °F (USCG, 1999)15 - 16 °C84 °C
굴절률1.525-1.530
Physical DescriptionO-isopropyl phenol is a light-yellow liquid. Less dense than water and insoluble in water. Hence floats on water.Light yellow liquidmp = 17 deg C[CAMEO] Melting point = 12-16 deg C[Sigma-Aldrich MSDS]Colourless liquid, phenolic odour
Ionization EfficiencyNegative-0.6110.5Agilent XCTElectrospray ionizationammonia (10nM)
Kovats Retention Index1175.4117812001183.311731198.91199.21200.211841203203.4121112089
Collision Cross Section129.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2044391]
EPAIsopropylphenol (25168-06-3)

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 0.3% (5 of 1618) of reports.DangerH302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (84.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (85.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1618 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 1618 reports by companies.There are 14 notifications provided by 1613 of 1618 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보Chemical: Phenol, 2-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 28-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21003Phenol, 2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보Evaluation - Propyl and butyl phenols
운송 라벨(DOT)Corrosive
화재 위험Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
건강 유해성Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
유해성 요약Causes sleep in intravenous lethal-dose studies of mice (LD50 = 100 mg/kg)[RTECS] A skin, eye, nose, and throat irritantMay cause second-degree skin burns after a few minutes contactVapor is moderately irritating[CHRIS] Safe when used as a flavoring agent in food[JECFA] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHarmful by ingestion[Sigma-Aldrich MSDS]
반응성 그룹Phenols and Cresols
Reactivity ProfilePhenols, such as O-ISOPROPYL PHENOL, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire (USCG, 1999).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)Acute Tox. 4 (84.2%)Skin Corr. 1B (85.7%)
소화Fire Extinguishing Agents Not to Be Used: Water.Fire Extinguishing Agents: Dry chemical, alcohol foam, or carbon dioxide. (USCG, 1999)
응급 처치Get medical attention.INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.EYES: Flush with water for at least 15 min., lifting lids occasionally. Contact lenses should not be worn when working with this chemical.SKIN: Remove contaminated clothing and shoes. Wash with soap and water. (USCG, 1999)
비화재 누출 대응Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
유해 작용Dermatotoxin - Skin burns.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
TSCA 등재 상태TSCA listed
2-Isopropylphenol|Huagongshe