(4-Isobutylphenyl)acetic acid

Basic Information

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CAS Number

1553-60-2

Molecular Formula

C12H16O2

Molecular Weight

192.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

No data avaiable

Melting Point

85-87°C

Boiling Point

288.25°C (rough estimate)

Flash Point

209.3±14.4 °C

Refractive Index

1.5100 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CC(C)CC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

InChIKey

CYWFCPPBTWOZSF-UHFFFAOYSA-N

LogP

2.5122

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

179

Safety Information

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Hazard Statement

Toxicity

LD50 orally in mice: 1.8 g/kg (Adams)

Synonyms & References

English

Kyselina p-isobutylfenyloctova
EINECS 216-302-2
CYWFCPPBTWOZSF-UHFFFAOYSA-N
NS00025045
BDBM50295285
Dytransin (TN)
(4-isobutylphenyl)acetic acid
Z94602147
SR-01000944865-1
4-ISO-BUTYLPHENYLACETIC ACID
IBUFENAC [WHO-DD]
Tox21_111821
Tox21_111821_1
Q3791607
MFCD00864374
Ibufenaco [INN-Spanish]
Ibufenacum [INN-Latin]
IBUFENAC [MART.]
HY-W040672
NCGC00160451-01
NSC99976
J-009187
4-Isobutylphenylacetic acid
DTXSID0044107
p-Isobutyl-alpha-toluic acid
Benzeneacetic acid, 4-(2-methylpropyl)-
SCHEMBL24244
p-isobutylphenylacetic acid
DTXCID8024107
BS-13896
Ibufenacum

MDL Number

MFCD00864374

Customs Code

2916399090

FAQ

What regulatory guidelines apply to (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2)?

Regulatory guidelines for (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2) include GHS classification, which categorizes it based on its physical and health hazards. In the European Union, it falls under REACH regulations, requiring manufacturers and importers to register substances if they exceed certain tonnage thresholds. Additionally, FDA and EPA guidelines cover its use in consumer and industrial products, ensuring compliance with safety standards and environmental protection.

Are there alternatives to (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2) in synthesis?

Alternatives to (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2) include other substituted phenylacetic acids or isomers with similar functional groups. Common alternatives used in synthesis include (4-Methylphenyl)acetic acid and (4-Tert-butylphenyl)acetic acid. These can serve as effective substitutes depending on the desired properties and reaction conditions.

What is the market or research trend for (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2)?

The market for (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2) is driven by increasing demand in pharmaceuticals and personal care products due to its anti-inflammatory and analgesic properties. Research trends focus on developing derivatives with enhanced efficacy and reduced side effects. Additionally, there is growing interest in its use as an intermediary in the synthesis of other compounds, reflecting its importance in organic chemistry.

How should waste containing (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2) be handled?

Waste containing (4-Isobutylphenyl)acetic acid (CAS: 1553-60-2) should be collected in appropriate containers and stored in a well-ventilated area away from heat and ignition sources. For disposal, it is recommended to treat the waste with neutralization or biodegradation methods before incineration or professional waste disposal. Environmental protection measures include proper labeling and following local regulations to ensure safe and sustainable disposal.