Basic information
- CAS
2029-94-9- Standard SMILES
CCOc1ccc(C=O)cc1OCC- InChIKey
SSTRYEXQYQGGAS-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3,4-Diethoxybenzaldehyde
- IUPAC
- 3,4-diethoxybenzaldehyde
- English name
- 3,4-DIETHOXYBENZALDEHYDE
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3,4-DiethoxybenzaldehydeBenzaldehyde, 3,4-diethoxy-UNII-1BI625Z66I1BI625Z66INSC 6331NSC-6331EINECS 217-979-7AI3-02069DTXSID3062108SSTRYEXQYQGGAS-UHFFFAOYSA-RefChem:91053DTXCID2036249
Show more names
AKOS B000267ASISCHEM R431893,4-DIETHOXYBENZALDEOTAVA-BB BB70204017404-DiethoxybenzaldehydeApremilast Impurity 1343,4-diethoxy-benzaldehyd3,4-Diethoxybenzaldehyde >
InChI=1/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3SSTRYEXQYQGGAS-UHFFFAOYSA-N2029-94-93,4-Diethoxy-benzaldehydeMFCD00016607NSC6331Benzaldehyde,4-diethoxy-SCHEMBL493684
Database identifiers
- CAS
2029-94-9- PubChem CID
- 74847
- DTXSID
DTXSID3062108- UNII
- 1BI625Z66I
- EC Number
- 217-979-7
- Nikkaji
- J150.375H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 22 °C · 22°C
- Boiling point
- 293 · 293-294 °C (lit.)
- Density
- 1.097 g/mL · 1.097 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5570(lit.)
- Flash point
- 225 °F · 225 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3
- InChIKey
- SSTRYEXQYQGGAS-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(OCC)c(OCC)c1
- LogP
- 2.385 · 2.385 (est)
- CAS DataBase Reference
- 2029 · 2029-94-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 BI625Z66I · 1BI625Z66I
- EPA Substance Registry System
- 3 · Benzaldehyde, 3,4-diethoxy- (2029-94-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- PPE
- Eyeshields, Gloves
- Hazard Codes
- Xi
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29124990 · 29124990
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 reports by companies from 2 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
Regulatory InformationChemical: Benzaldehyde, 3,4-diethoxy-
Other Safety InformationIMAP assessments - Benzaldehyde, 3,4-diethoxy-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory InformationChemical: Benzaldehyde, 3,4-diethoxy-
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29124990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 3,4-diethoxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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
南通合润生物科技有限公司18362409333 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [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]
深圳摩科生化科技有限公司18627923403 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
池州凯隆进出口贸易有限公司[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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
贵州瑞曦新材料科技有限公司18786651865 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
33 records
Compound notes
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