2-Isopropylphenol

HCID 6943CAS 25168-06-3

기본 정보

표준 SMILES
CC(C)c1ccccc1O
InChIKey
CRBJBYGJVIBWIY-UHFFFAOYSA-N
분자식
C9H12O
평균 분자량
136.19 g/mol
단동위원소 질량
136.088815

이름 및 식별자

우선 이름
2-Isopropylphenol
IUPAC
2-propan-2-ylphenol
현지명
이소프로필페놀
영어명
isopropylphenol
분자식
C9H12O
분자량
136.19098

이름 및 동의어

2-Isopropylphenol88-69-7O-ISOPROPYLPHENOLo-Hydroxycumene2-(1-Methylethyl)phenolo-CumenolPhenol, o-isopropyl-1-Hydroxy-2-isopropylbenzene2-(propan-2-yl)phenol2-propan-2-ylphenolPhenol, 2-(1-methylethyl)-Prodox 131
이름 더 보기
이소프로필페놀isopropylphenol1-METHYLETHYLPHENOLPhenol,(1-methylethyl)-25168-06-3 Isopropylphenol isomer mixture
ISOPROPYLPHENOL, ORTHO1-Hydroxy-3-isopropylbenzeneortho-isopropylphenolFEMA No. 3461DTXSID2044391B2899Z0Q2UNSC-5103DTXCID0024391

데이터베이스 식별자

CAS
25168-06-3、88-69-7
PubChem CID
6943
DTXSID
DTXSID2044391
ChEMBL
CHEMBL30018
ChEBI
CHEBI:38506
UNII
B2899Z0Q2U
EC Number
201-852-8、246-699-8
Nikkaji
J44.155D

물성

구조 계산 물성

XLogP
2.9
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

LogP2.88
Density · 2건

0.995 at 68 °F (USCG, 1999) - Less dense than water; will float

0.989-0.999

Solubility · 2건

slightly soluble in water

miscible (in ethanol)

Flash Point220 °F (USCG, 1999)
Boiling Point · 3건

417.2 °F at 760 mmHg (USCG, 1999)

212.00 to 214.00 °C. @ 760.00 mm Hg

213-214 °C

Melting Point · 2건

62.6 °F (USCG, 1999)

15 - 16 °C

물리화학적 성질

녹는점
84 °C · 84 °C
끓는 점
200 · 200-230 °C
EPA
Isopropylphenol (25168-06-3)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.3% (5 of 1618) of reports.

Danger

H302 (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.

유해성 정보

Regulatory Information · 4건

Chemical: 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/21003

Phenol, 2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Propyl and butyl phenols
DOT LabelCorrosive
Fire HazardsSpecial 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)
Health HazardsExposure can cause irritation of eyes, nose and throat. (USCG, 1999)
Hazards Summary · 1건

Causes sleep in intravenous lethal-dose studies of mice (LD50 = 100 mg/kg); [RTECS] A skin, eye, nose, and throat irritant; May cause second-degree skin burns after a few minutes contact; Vapor is moderately irritating; [CHRIS] Safe when used as a flavoring agent in food; [JECFA] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; [Sigma-Aldrich MSDS]

안전 및 보호

Fire FightingFire Extinguishing Agents Not to Be Used: Water.;Fire Extinguishing Agents: Dry chemical, alcohol foam, or carbon dioxide. (USCG, 1999)
First Aid · 1건

Get 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)

Nonfire Spill Response · 1건

Excerpt 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 Evacuation · 1건

Excerpt 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 directions; also, 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)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

규제 정보

Regulatory Information · 4건

Chemical: 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/21003

Phenol, 2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

tsca
TSCA listed

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesUsed as a flavoring agent; [FDA]
Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

Phenol, 2-(1-methylethyl)-: ACTIVE

Phenol, (1-methylethyl)-: INACTIVE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]

관련 반응

105건

연결된 노트

불러오는 중…