CAS 2186-92-7 p-(Dimethoxymethyl)anisole (HCID 75140)

Names & identifiers

Preferred name: p-(Dimethoxymethyl)anisole
IUPAC: 1-(dimethoxymethyl)-4-methoxybenzene
English name: P-ANISALDEHYDE DIMETHYL ACETAL
Molecular formula: C10H14O3
Molecular weight: 182.22

Names & synonyms

2186-92-71-(Dimethoxymethyl)-4-methoxybenzeneAnisaldehyde dimethyl acetal4-Methoxybenzaldehyde dimethyl acetalp-(Dimethoxymethyl)anisoleBenzene, 1-(dimethoxymethyl)-4-methoxy-p-anisaldehyde dimethylacetalAnisicaldehyde dimethylacetalXTE77A5ET4p-methoxybenzaldehyde dimethyl acetalDTXSID30622394-Methoxybenzaldehyddimethylacetal

Show more names

-4-methoxybenzeneANISIC ALDEHYDE DMA1-(Dimethoxymethyl)Nintedanib Impurity 33α,α,4-TrimethoxytolueneAnisaldehyddimethylacetal4-(Dimethoxymethyl)anisoleAnisicaldehydedimethylacetal

dimethoxy(4-methoxyphenyl)methane4-ANISALDEHYDDIMETHYLACETALEINECS 218-577-44-ANISALDEHYDE DIMETHYL ACETALANISIC ALDEHYDE DIMETHYL ACETALP-ANISALDEHYDE, DIMETHYL ACETAL(P-METHOXYPHENYL)DIMETHOXYMETHANEEC 218-577-4

Database identifiers

CAS: 2186-92-7
PubChem CID: 75140
DTXSID: DTXSID3062239
UNII: XTE77A5ET4
EC Number: 218-577-4
Nikkaji: J183.678A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Benzene, 1-_(dimethoxymethyl)_-_4-_methoxy-) -> IFRA transparency List

Physicochemical properties

Boiling point: 85 · 85-87 °C0.1 mm Hg(lit.)
Density: 1.07 g/mL · 1.07 g/mL at 20 °C(lit.)
vapor pressure: 2.407 · 2.407-48Pa at 25-61.2℃
refractive index: 20 · n20/D 1.505
Flash point: 97 °C · 97°C
storage temp.: 2 · 2-8°C
solubility: 2 O: · H2O: soluble
form: Liquid
color: Clear colorless to light yellow
Odor: Herbal-green, somewhat floral odor, suggestive of Lilac (“Lilac-green’”), Hyacinth, Appleblossom, etc.
Odor Type: floral
Water Solubility: Miscible with alcohol and many organic solvents. Slightly miscible with water.
BRN: 2048930 · 2048930
InChI: 1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
InChIKey: NNHYAHOTXLASEA-UHFFFAOYSA-N
SMILES: COC(OC)c1ccc(OC)cc1
LogP: 2 at · 2 at 25℃
CAS DataBase Reference: 2186 · 2186-92-7(CAS DataBase Reference)
FDA UNII: 77 A5ET4 · XTE77A5ET4
EPA Substance Registry System: p-(Dimethoxymethyl)anisole (2186-92-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25
WGK Germany: 1 · 1
F: 10 · 10
TSCA: TSCA listed
HS Code: 29110000 · 29110000
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 98.1% (105 of 107) of all reports.

Not Classified

Aggregated GHS information provided per 107 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzene, 1-(dimethoxymethyl)-4-methoxy-

Status: Active Update: 24-02-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1858

Benzene, 1-(dimethoxymethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

F: 10
PPE: Eyeshields, Gloves
wgk: 1
tsca: TSCA listed
hs_code: 29110000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzene, 1-(dimethoxymethyl)-4-methoxy-: ACTIVE

Applications · 1 item

Uses4-Methoxybenzaldehyde dimethyl acetal is used as a precursor to 1-methoxy-1-(4-methoxyphenyl)hept-2-yne, 2,5-dioxopyrrolidin-1-yl-3-((4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamido)propanoate and 1-(p-anisyl)-2-(2-methoxyethyl)-3-phenylindene. Further, it acts as a protecting group reagent for diols, especially in carbohydrates. It is also used as a flavor essence in sunflower, cyclamen and in jasmine. In addition to this, it is involved in allylation reactions with allyltrimethylsilane catalyzed by Iron(III) chloride.