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Basic information
- CAS
7091-12-5- Standard SMILES
CCCOc1ccccc1C=O- InChIKey
CDUPASLURGOXGD-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-Propoxy-benzaldehyde
- IUPAC
- 2-propoxybenzaldehyde
- English name
- 2-Propyloxybenzaldehyde
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-Propoxy-benzaldehydeRefChem:483250658-432-62-Propoxybenzaldehyde7091-12-52-n-propoxybenzaldehydeMFCD000461502-propyloxybenzaldehydepropoxy benzaldehydeNSC68512Benzaldehyde,-2-propoxySCHEMBL812635
Show more names
FR-2293ZERO/001040BAS 09975368ZINC01695172ASISCHEM V34141TIMTEC-BB SBB001592o-Propoxybenzaldehyde
SCHEMBL910513SCHEMBL7472188SCHEMBL30920025DTXSID50290414ALBB-001164BBL022916NSC-68512SBB001592
Database identifiers
- CAS
7091-12-5- PubChem CID
- 249807
- DTXSID
DTXSID50290414- EC Number
- 658-432-6
- Nikkaji
- J433.140K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 173 · 173-174 °C
- Boiling point
- 87 °C · 87 °C(Press: 0.3 Torr)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Liquid
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6,8H,2,7H2,1H3
- InChIKey
- CDUPASLURGOXGD-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=CC=C1OCCC
- CAS DataBase Reference
- 7091 · 7091-12-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): 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, P305+P354+P338, P317, 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 43 reports by companies from 3 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (88.4%)；Eye Irrit. 2 (11.6%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2912490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers35 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
安徽合诺生物科技有限公司18455579438
吉良化学21-62165282 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
宝鸡缔都医药化工有限公司
Related reactions
11 records
Compound notes
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