Substances (GSRS)

2,3-DIMETHYLBENZOIC ACID

Also: BENZOIC ACID, 2,3-DIMETHYL-, Hemellitic acid, NSC-407533

chemicalUNII 7IRP8CA267

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

3c5264e4-24f0-4094-92ee-daf774621a21

Version

UNII

7IRP8CA267

Codes

Uuid
92aeca82-2fa8-42f1-94da-c5e921e27cbe
Code
603-79-2
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=603-79-2
Code system
CAS
References
723928ba-cda1-4676-9661-e4e2edaade71, 18233e36-7273-488a-ae7e-41cc45e73f2e
Uuid
84508028-2d0c-49e2-8e5d-19cf5fee02e7
Code
210-058-0
Type
PRIMARY
Url
https://echa.europa.eu/substance-information/-/substanceinfo/100.009.144
Code system
ECHA (EC/EINECS)
References
723928ba-cda1-4676-9661-e4e2edaade71
Uuid
a2a2c566-b921-49b4-86b2-e4b961ead8b8
Code
11782
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/11782
Code system
PUBCHEM
References
723928ba-cda1-4676-9661-e4e2edaade71
Uuid
c87ccd86-2243-8e91-921a-ebd6d3350f71
Code
DTXSID50209061
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID50209061
Code system
EPA CompTox
References
79e44aa4-17e0-6f09-1496-afa8d8471f99
Uuid
a5fe8b4f-ed11-43d1-9a4c-65f5179b5280
Code
7IRP8CA267
Type
PRIMARY
Code system
FDA UNII
Uuid
894630ac-7c01-0046-9ad0-3b4ae1d743f3
Code
64823
Type
PRIMARY
Url
https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:64823
Code system
CHEBI
References
3875ec80-b4d0-ba76-df34-1bcf76ca6b3b
Uuid
a8fefcb6-5abd-7b5b-4280-60152cd0075d
Code
407533
Type
PRIMARY
Url
https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=407533
Code system
NSC
References
3a2cbddc-d3e7-bbf8-51c9-8c53d8e33560

Names

Uuid
95f5c909-96e4-40d1-951a-710ecfcbdf51
Name
2,3-DIMETHYLBENZOIC ACID
StdName
2,3-DIMETHYLBENZOIC ACID
Type
sys
Preferred
false
Display name
false
Languages
en
References
5706409f-1b76-44a5-add9-af82cc2d4ac8, f3147196-a208-4e10-b295-d024652ca18d
Uuid
d0536778-2ed9-1bd7-b4ed-63b9d76b7e64
Name
BENZOIC ACID, 2,3-DIMETHYL-
StdName
BENZOIC ACID, 2,3-DIMETHYL-
Type
sys
Preferred
false
Display name
false
Languages
en
References
5d804aff-7ee0-449a-ea61-9374461102c8
Uuid
fc1d8d78-50ee-58fe-e14e-7916de89948a
Name
Hemellitic acid
StdName
HEMELLITIC ACID
Type
cn
Preferred
false
Display name
true
Languages
en
References
5d804aff-7ee0-449a-ea61-9374461102c8
Uuid
8665a81c-2a5b-4127-b429-43f5d42a634c
Name
NSC-407533
StdName
NSC-407533
Type
cd
Preferred
false
Display name
false
Languages
en
References
5706409f-1b76-44a5-add9-af82cc2d4ac8, f3147196-a208-4e10-b295-d024652ca18d

References

Uuid
f3147196-a208-4e10-b295-d024652ca18d
Citation
CHEMID
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
5706409f-1b76-44a5-add9-af82cc2d4ac8
Citation
CHEMID
Doc type
CHEMID
Public domain
true
Tags
NOMEN
Uuid
723928ba-cda1-4676-9661-e4e2edaade71
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493394024000
Tags
NOMEN
Uuid
79e44aa4-17e0-6f09-1496-afa8d8471f99
Citation
WEBSITE
Url
https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=603-79-2
Doc type
WEBSITE
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
5d804aff-7ee0-449a-ea61-9374461102c8
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
3875ec80-b4d0-ba76-df34-1bcf76ca6b3b
Doc type
SYSTEM
Public domain
true
Uuid
3a2cbddc-d3e7-bbf8-51c9-8c53d8e33560
Citation
NCI
Doc type
NCI DRUG DICTIONARY
Public domain
true
Uuid
18233e36-7273-488a-ae7e-41cc45e73f2e
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true

Moieties

Uuid
9f6a1c86-f35d-45d2-83e0-c4885ce06b6f
ID
9f6a1c86-f35d-45d2-83e0-c4885ce06b6f
Smiles
Cc1cccc(c1C)C(=O)O
Formula
C9H10O2
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
150.1748
Optical activity
NONE
Stereo centers
0
Molfile
CDK 01032518362D 11 11 0 0 0 0 0 0 0 0999 V2000 20.5423 -8.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8934 -7.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8938 -6.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2454 -5.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5963 -6.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5958 -7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2443 -8.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2445 -10.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9468 -8.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9468 -10.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2977 -7.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
f1c936e3-3155-4680-81e1-da85690e7cdc

Structure

ID: b5e56749-c99c-4bea-898d-fb05cb5fd734
Smiles: Cc1cccc(c1C)C(=O)O
Formula: C9H10O2
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 150.1748
Optical activity: NONE
Stereo centers: 0
Molfile: JSDraw201032518362D 11 11 0 0 0 0 0 V2000 20.5423 -8.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8934 -7.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8938 -6.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2454 -5.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5963 -6.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5958 -7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2443 -8.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2445 -10.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9468 -8.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9468 -10.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2977 -7.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 M END
References: 5d804aff-7ee0-449a-ea61-9374461102c8, f3147196-a208-4e10-b295-d024652ca18d

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.