Grundinformationen
- Standard-SMILES
Cc1ccc(C=O)c(O)c1- InChIKey
JODRRPJMQDFCBJ-UHFFFAOYSA-N- Summenformel
- C8H8O2
- Durchschnittliche Molmasse
- 136,15 g/mol
- Monoisotopische Masse
- 136,0524295
Überblick
2-Hydroxy-4-methylbenzaldehyde is a hydroxybenzaldehyde.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxy-4-methylbenzaldehyde
- IUPAC
- 2-hydroxy-4-methylbenzaldehyde
- Lokaler Name
- 4-Methylsalicylaldehyd
- Englischer Name
- 2-Hydroxy-4-methylbenzaldehyde
- Summenformel
- C8H8O2
- Molmasse
- 136.15
Namen und Synonyme
2-Hydroxy-4-methylbenzaldehyde4-Methylsalicylaldehyde2,4-CresotaldehydeBENZALDEHYDE, 2-HYDROXY-4-METHYL-2-Hydroxy-4-methyl-benzaldehyde2-Formyl-5-methylphenol4-Methyl-2-hydroxybenzaldehydem-Homosalicylaldehyde4-Methylsalicyclic aldehydeHomosalicylaldehyde, m-4-Methyl salicylaldehydeFEMA No. 3697
Weitere Namen anzeigen
2-HYDROXY-4-METHYLBENZ4-Methylsalicylaldehyde>2-Hydroxy-4-methylbenzaldehyde2-HYDROXY-4-METHYLBENZALDEHYDE 98+%2-Hydroxy-4-Methylbenzaldehyde, 97+%2-HYDROXY-4-METHYLBENZALDEHYDE USP/EP/BP2-Hydroxy-4-methylbenzaldehyde, 10 mM in DMSO
UNII-9N0S26G61Jm-Cresol-6-aldehydeDTXSID20744079N0S26G61J2-hydroxy-p-tolualdehydeEINECS 211-813-7FEMA 36972-HYDROXY-4-METHYL BENZALDEHYDE [FHFI]
Datenbank-Bezeichner
- CAS
698-27-1- PubChem CID
- 61200
- DTXSID
DTXSID2074407- ChEBI
CHEBI:178982- UNII
- 9N0S26G61J
- EC Number
- 211-813-7
- Nikkaji
- J156.647D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 122
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in organic solvents, oils
freely soluble (in ethanol)
Boiling Point
760.00 to 223.00 °C. @ 760.00 mm Hg
207 °C
Melting Point60 - 61 °C
Physical Description
Solid
colourless to light straw crystals with a strong, bitter-almond, phenolic odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-61 °C (lit.)
- Siedepunkt
- 222 · 222-223℃
- Dichte
- 1.115 · 1.1150 (rough estimate)
- Brechungsindex
- 1.547 · 1.5470 (estimate)
- FEMA
- 3697 · 3697 | 2-HYDROXY-4-METHYLBENZALDEHYDE
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly)
- pka
- 8.28 · 8.28±0.10(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. bitter almond phenolic
- Geruchsart
- fruity
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Soluble in oil, slightly soluble in water.
- JECFA Number
- 898 · 898
- Major Application
- flavors and fragrances
- InChI
- 1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
- InChIKey
- JODRRPJMQDFCBJ-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(C)cc1O
- LogP
- 2.07 · 2.07
- CAS Datenbank
- 698 · 698-27-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Benzaldehyde, 2-hydroxy-4-methyl- (698-27-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (83.6%): 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 280 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzaldehyde, 2-hydroxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Benzaldehyde, 2-hydroxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (83.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- PG3
- hs_code
- 29124900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzaldehyde, 2-hydroxy-4-methyl-: ACTIVE
Anwendungen
Beschreibung2-Hydroxy-4-methylbenzaldehyde is strongly odorous.
OccurrenceReported found in licorice.
VerwendenThe intermediate for synthesis of liquid crystal. Also used as pharmaceutical intermediate.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
銳迪國際科技有限公司18024082417 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津佶品佳化工科技有限公司18622448868 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
越林试剂021-62960152 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Zugehörige Reaktionen
29
Verknüpfte Notizen
Wird geladen…