3-Methylbutyl 4-(dimethylamino)benzoate

Basic Information

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CAS Number

21245-01-2

Molecular Formula

C14H21NO2

Molecular Weight

235.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

35.0 to 39.0 deg-C

Boiling Point

150-155 ºC (2.5 mmHg)

Flash Point

185 ºF

Refractive Index

1.553

SMILES

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O=C(OCCC(C)C)C1=CC=C(N(C)C)C=C1

InChI

InChI=1S/C14H21NO2/c1-11(2)9-10-17-14(16)12-5-7-13(8-6-12)15(3)4/h5-8,11H,9-10H2,1-4H3

InChIKey

OFSAUHSCHWRZKM-UHFFFAOYSA-N

LogP

2.9555000000000016

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

230

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Isoamyl 4-(dimethylamino)benzoate
Isoamyl 4-N,N-dimethylaminobenzoate
ISOAMYL PARA-N,N-DIMETHYLAMINOBENZOATE
ISOPENTYL 4-(DIMETHYLAMINO)BENZOATE
3-METHYLBUTYL-4-DIMETHYLAMINOBENZOATE
3-METHYLBUTYL P-(DIMETHYLAMINO)BENZOATE
4-DIMETHYLAMINOBENZOIC ACID ISOAMYL ESTER
3-Methylutyl4-Dimethylaminobenzoate
DMBI
Isoamyl 4-(Dimethylamino)benzoate [contains 2-Methylbutyl 4-(Dimethylamino)benzoate]
3-methylbutyl 4-(dimethylamino)benzoate
Padimate
4-(Dimethylamino)benzoic Acid Isoamyl Ester [contains 2-Methylbutyl 4-(Dimethylamino)benzoate]
Spectraban
4-(Dimethylamino)benzoic Acid Isoamyl Ester
4-(Dimethylamino)benzoic Acid Isopentyl Ester
3-Methylbutyl 4-dimethylaminobenzoate
Benzoic acid, 4-(dimethylamino)-, 3-methylbutyl ester
3-Methylbutyl4-dimethylaminobenzoate
956679A27P
DSSTox_CID_26580
DSSTox_RID_81739
DSSTox_GSID_46580
4-(Dimethylamino)benzoic
Isopentyl 4-(Dimethylamino)benzoate
4-Dimethylaminobenzoic acid isoamyl ester

MDL Number

MFCD00059356

Customs Code

2922499990

FAQ

What is 3-Methylbutyl 4-(dimethylamino)benzoate (CAS: 21245-01-2)?

3-Methylbutyl 4-(dimethylamino)benzoate is a compound with the chemical formula C12H17NO2. It is a derivative of benzoic acid, featuring a 3-methylbutyl group and a dimethylamino substituent. This compound is colorless to light yellow oil or white solid, soluble in organic solvents and less soluble in water.

What are the main uses of 3-Methylbutyl 4-(dimethylamino)benzoate (CAS: 21245-01-2)?

3-Methylbutyl 4-(dimethylamino)benzoate is primarily used as a pharmaceutical intermediate. It is also utilized in the synthesis of other organic compounds and as a reagent in various chemical reactions. Additionally, it is sometimes used in laboratory research for specific applications.

Is 3-Methylbutyl 4-(dimethylamino)benzoate (CAS: 21245-01-2) safe?

3-Methylbutyl 4-(dimethylamino)benzoate is generally considered safe under normal laboratory conditions. However, it should be handled with care as it may cause skin irritation. Protective gloves, eyewear, and appropriate lab clothing are recommended. Keep the compound away from heat and open flames. In case of accidental ingestion, seek medical attention immediately.

How should 3-Methylbutyl 4-(dimethylamino)benzoate (CAS: 21245-01-2) be stored?

3-Methylbutyl 4-(dimethylamino)benzoate should be stored in a cool, dry place, away from direct sunlight and sources of ignition. It is advisable to store the compound in a tightly sealed container made of an appropriate material to prevent degradation. The temperature should not exceed 25°C. Avoid exposing the compound to high humidity and moisture to maintain its stability.