Grundinformationen
- Standard-SMILES
COC(OC)c1ccccc1- InChIKey
HEVMDQBCAHEHDY-UHFFFAOYSA-N- Summenformel
- C9H12O2
- Durchschnittliche Molmasse
- 152,19 g/mol
- Monoisotopische Masse
- 152,08372962
Überblick
(Dimethoxymethyl)benzene is a benzyl ether.
Namen und Bezeichner
- Bevorzugter Name
- Benzaldehyde dimethyl acetal
- IUPAC
- dimethoxymethylbenzene
- Lokaler Name
- α,α-Dimethoxytoluol
- Englischer Name
- Benzaldehyde dimethyl acetal
- Summenformel
- C9H12O2
- Molmasse
- 152.19
Namen und Synonyme
Benzaldehyde dimethyl acetal1125-88-8(dimethoxymethyl)benzeneDimethoxyphenylmethanealpha,alpha-DimethoxytolueneBENZENE, (DIMETHOXYMETHYL)-Benzaldehyde, dimethyl acetalFEMA No. 2128W6T83K35CADTXSID5061538NSC-286137RefChem:916846
Weitere Namen anzeigen
boronic Acid Pinacol EsterImidazolidinonemorpholinonemidecarbothioamideIsoquinolinolnitrobenzoatemethylbenzamideα,α-Dimethoxytoluenel Chloride
DTXCID1033298214-413-0DimethoxymethylbenzenebenzaldehydedimethylacetalBENZALDEHYDE DIMETHYLACETALPHENYLDIMETHOXYMETHANE.alpha.,.alpha.-Dimethoxytoluene1-(dimethoxymethyl)benzene
Datenbank-Bezeichner
- CAS
1125-88-8- PubChem CID
- 62375
- DTXSID
DTXSID5061538- ChEBI
CHEBI:179257- UNII
- W6T83K35CA
- EC Number
- 214-413-0
- Nikkaji
- J57.881I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 93,7
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.007-1.020
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
87.00 to 89.00 °C. @ 18.00 mm Hg
198 °C
Refractive Index1.488-1.496
Physical Descriptioncolourless liquid with a sweet, floral-almond odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · 87-89 C
- Siedepunkt
- 87 · 87-89 °C/18 mmHg (lit.)
- Dichte
- 1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
- FEMA
- 2128 · 2128 | BENZALDEHYDE DIMETHYL ACETAL
- Brechungsindex
- 20 · n20/D 1.493(lit.)
- Flammpunkt
- 157 °F · 157 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Geruch (Odor)
- 100 % · at 100.00 %. green earthy rooty nutty vegetable spinach potato fungal almond winey
- Geruchsart
- green
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- decomposes
- JECFA Number
- 837 · 837
- BRN
- 2044501 · 2044501
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- InChIKey
- HEVMDQBCAHEHDY-UHFFFAOYSA-N
- SMILES
- COC(OC)c1ccccc1
- LogP
- 2.24 · 2.24
- CAS Datenbank
- 1125 · 1125-88-8(CAS DataBase Reference)
- NIST chemische Informationen
- Benzaldehyde dimethyl acetal(1125-88-8)
- EPA chemische Informationen
- Benzene, (dimethoxymethyl)- (1125-88-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 320 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, (dimethoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.7%)
Sicherheitsdaten
- F
- 10-21
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 29110000
- RTECS-Nr.
- CU5774000
- risk_code
- 22-36/37/38
- Toxizität
- LD50 orally in Rabbit: 1220 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- hazard_code
- Xn
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, (dimethoxymethyl)-: ACTIVE
Anwendungen
OccurrenceReported found in rhubarb and potato.
VerwendenBenzaldehyde dimethyl acetal used as an effective reagent for the construction of selenocarbonyl compounds.
Darstellung
synthetischeFrom benzaldehyde and methanol in the presence of calcium chloride and HCl; from benzaldehyde and tetramethylorthosilicate in the presence of anhydrous HCl in methanol
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