3-Hydroxy-2-methylbenzoic Acid

HCID 252023CAS 603-80-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(O)cccc1C(=O)O
InChIKey
RIERSGULWXEJKL-UHFFFAOYSA-N
Molecular formula
C8H8O3
Average molar mass
152.15 g/mol
Monoisotopic mass
152.04734411

Names & identifiers

Preferred name
3-Hydroxy-2-methylbenzoic Acid
IUPAC
3-hydroxy-2-methylbenzoic acid
English name
3-Hydroxy-2-methylbenzoic acid
Molecular formula
C8H8O3
Molecular weight
152.15

Names & synonyms

3-Hydroxy-2-methylbenzoic AcidDTXSID50291103RefChem:502336DTXCID80242249629-955-7603-80-53-Hydroxy-o-toluic Acid3-Hydroxy-2-methyl benzoic acid2-Methyl-3-hydroxybenzoic acid3,2-Cresotic acidBenzoic acid, 3-hydroxy-2-methyl-MFCD00671541
Show more names
HMBANSC 73133Hydroxytoluicacid,98%3-HYDROXY-2-TOLUIC ACID2-Methyl-3-Hydroxybenzoic3-Hydroxy-2-methylbenzoicaci2-Methyl-3-hydroxybenzoicacid
3-Hydroxy-2-Methyl-Benzoic AcidNSC-731333-Hydroxy-2-methylbenzoicacidKresolsaure3,2-Cresotic Acid; 2-Methyl-3-hydroxybenzoic Acid; NSC 73133;NSC73133PF0BVN4R6FAM5

Database identifiers

CAS
603-80-5
PubChem CID
252023
DTXSID
DTXSID50291103
UNII
BVN4R6FAM5
EC Number
629-955-7
Nikkaji
J95.429B

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
143 · 143-148°C
Boiling point
336.6 · 336.6±30.0 °C(Predicted)
Density
1.304 · 1.304±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (15.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (15.2%)

Safety data

hs_code
29182900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36
hazard_class
IRRITANT

Chemistry & industry

Applications

Uses3-Hydroxy-2-methylbenzoic Acid (cas# 603-80-5) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Related reactions

171 records
New reaction record

Linked notes

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