3,5-Dimethyl-4-hydroxybenzaldehyde

HCID 75222
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2233-18-3
Standard SMILES
Cc1cc(C=O)cc(C)c1O
InChIKey
UYGBSRJODQHNLQ-UHFFFAOYSA-N
Molecular formula
C9H10O2
Average molar mass
150.17 g/mol
Monoisotopic mass
150.06807956

Overview

do not confuse with 2,2-dimethyl-3-hydroxybutyric acid, also known as DMHB

Names & identifiers

Preferred name
3,5-Dimethyl-4-hydroxybenzaldehyde
IUPAC
4-hydroxy-3,5-dimethylbenzaldehyde
English name
3,5-Dimethyl-4-hydroxybenzaldehyde
Molecular formula
C9H10O2
Molecular weight
150.17

Names & synonyms

3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-34-Hydroxy-3,5-dimethylbenzaldehydeBenzaldehyde, 4-hydroxy-3,5-dimethyl-4-Formyl-2,6-xylenol23PA2PMP9FNSC-128405DTXSID8062282RefChem:486987DMHB-3,5DTXCID2036665218-774-5
Show more names
SyringnldehydeBUTTPARK 96\57-683,5-Dimethyl-4-hydro4-Hydroxy-3,5-dimethyL3,5-Dimethyl-4-Hydroxybenzalde3,5-Dimethyl-4-Hydorxybenzaldehyde4-hydroxy-3,5-dimethyl-benzaldehyd3,5-Dimethyl-4-hydroxybenzaidehyde
4-Hydroxy-3,5-DiMethyl-BenzaldehydeMFCD00006946EINECS 218-774-5NSC 128405Benzaldehyde,5-dimethyl-UNII-23PA2PMP9F4-formyl-2,6-dimethylphenolSCHEMBL143965

Database identifiers

CAS
2233-18-3
PubChem CID
75222
DTXSID
DTXSID8062282
UNII
23PA2PMP9F
EC Number
218-774-5
Nikkaji
J213.125K

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
112 · 112-114 °C(lit.)
Boiling point
231.72 °C · 231.72°C (rough estimate)
Density
1.0858 · 1.0858 (rough estimate)
refractive index
1.518 · 1.5180 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 4-hydroxy-3,5-dimethyl-

Status: Active Update: 11-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20636

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29124990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 4-hydroxy-3,5-dimethyl-: INACTIVE
Applications · 1 item

Uses3,5-Dimethyl-4-hydroxybenzaldehyde is used as a reagent in the synthesis of new diarylaniline analogs which were evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitor agents. Also used in preparation of novel benzimidazole-5-carboxylate and its hydrazone derivatives which show potential for use as anti-inflammatory and antimicrobial agents.

Upstream & downstream products

Suppliers100 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]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

Related reactions

176 records
New reaction record

Compound notes

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