(~2~H_5_)Benzoic acid

Basic Information

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CAS Number

1079-02-3

Molecular Formula

C7HD5O2

Molecular Weight

127.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

120-122℃

Boiling Point

249 °C

SMILES

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

InChI

InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D

InChIKey

WPYMKLBDIGXBTP-RALIUCGRSA-N

LogP

1.3848000000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

104

Synonyms & References

English

DTXSID00910574
(2H5)Benzoic acid
(~2~H_5_)Benzoic acid
MFCD00002400
Pentadeuteriobenzoic acid
CS-0129250
EINECS 214-089-0
SCHEMBL2198415
1079-02-3
Benzoic-d5 -acid
Benzoic acid-2,3,4,5,6-d5, >=99 atom % D, >=99% (CP)
benzoic acid-d5
BENZOIC ACID-RING-D5
HY-N0216S
d5-benzoic acid
Benzoic acid D5 (phenyl D5)
AS-35396
J-002031
Benzoic acid-2,3,4,5,6-d5
Benzoic-2,3,4,5,6-d5acid
Benzoic-d5 acid-(phenyl-d5)
benzoic-d5 acid
AKOS037643775
2,3,4,5,6-pentadeuteriobenzoic acid
Benzoic Acid-d5
Benzoic-D5 Acid
BENZOIC ACID-[RING-D5]
1,2,3,4,5-pentadeuteriobenzoic acid
pentadeuterated benzoic acid
ring deuterated benzoic acid
Benzoic-d5acid (6CI,7CI,8CI,9CI)

MDL Number

MFCD00002400

FAQ

What regulatory guidelines apply to benzoic acid (CAS: 1079-02-3)?

Benzoic acid (CAS: 1079-02-3) is classified as a food preservative with specific limits under the Food Code by the FDA and the EPA. It is regulated by REACH in the European Union, which requires manufacturers and importers to register substances above one tonne per year. Additionally, it is subject to the Globally Harmonized System (GHS) of classification and labeling of chemicals, categorizing it as a skin irritant and corrosive to metals.

Are there alternatives to benzoic acid (CAS: 1079-02-3) in synthesis?

Yes, there are alternatives to benzoic acid (CAS: 1079-02-3) in synthesis, such as sorbic acid, which is a common alternative for food preservation due to its similar efficacy. Other options include propionic acid and parahydroxybenzoic acid, which can be used depending on the specific application and desired properties of the final product.

What is the market or research trend for benzoic acid (CAS: 1079-02-3)?

Benzoic acid (CAS: 1079-02-3) remains a stable market player in food preservation and pharmaceuticals. Recent research trends focus on its use in natural and organic products as a safer alternative to synthetic preservatives. Additionally, there is growing interest in its use as a component in cosmetics and personal care products, where its antimicrobial properties are being explored.

How should waste containing benzoic acid (CAS: 1079-02-3) be handled?

Waste containing benzoic acid (CAS: 1079-02-3) should be collected in appropriate containers and stored in a secure location away from ignition sources. For small quantities, neutralization with an alkaline solution can be used to reduce its corrosive potential before disposal. For larger quantities, professional waste disposal companies should be contacted to ensure safe incineration or chemical treatment, with proper environmental precautions taken to prevent contamination of soil and water resources.