2-Isopropylphenol

HCID 6943CAS 25168-06-3

Basic information

Standard SMILES
CC(C)c1ccccc1O
InChIKey
CRBJBYGJVIBWIY-UHFFFAOYSA-N
Molecular formula
C9H12O
Average molar mass
136.19 g/mol
Monoisotopic mass
136.088815

Names & identifiers

Preferred name
2-Isopropylphenol
IUPAC
2-propan-2-ylphenol
English name
isopropylphenol
Molecular formula
C9H12O
Molecular weight
136.19098

Names & synonyms

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
Show more names
isopropylphenol1-METHYLETHYLPHENOLPhenol,(1-methylethyl)-25168-06-3 Isopropylphenol isomer mixture
ISOPROPYLPHENOL, ORTHO1-Hydroxy-3-isopropylbenzeneortho-isopropylphenolFEMA No. 3461DTXSID2044391B2899Z0Q2UNSC-5103DTXCID0024391

Database identifiers

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

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

LogP2.88
Density · 2 items

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

0.989-0.999

Solubility · 2 items

slightly soluble in water

miscible (in ethanol)

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

417.2 °F at 760 mmHg (USCG, 1999)

212.00 to 214.00 °C. @ 760.00 mm Hg

213-214 °C

Melting Point · 2 items

62.6 °F (USCG, 1999)

15 - 16 °C

Physicochemical properties

Melting point
84 °C · 84 °C
Boiling point
200 · 200-230 °C
Indirect Additives used in Food Contact Substances
ISOPROPYLPHENOL
FDA UNII
7 UD6MUG48S · 7UD6MUG48S
EPA Substance Registry System
Isopropylphenol (25168-06-3)
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory Information · 4 items

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 · 1 item

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]

Safety & protection

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

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 · 1 item

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 · 1 item

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)

Toxicology

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

Regulatory information

Regulatory Information · 4 items

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

Safety data

tsca
TSCA listed

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

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

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 · 2 items

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

Phenol, (1-methylethyl)-: INACTIVE

Suppliers50 total

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]

Additional notes

DefinitionChEBI: 2-isopropylphenol is a member of the class of phenols carrying an isopropyl group at position 2. It derives from a hydride of a cumene.

Related reactions

105 records

Linked notes

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