Basic information
- CAS
4221-03-8- Standard SMILES
O=CCCCCO- InChIKey
CNRGMQRNYAIBTN-UHFFFAOYSA-N- Molecular formula
- C5H10O2
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.06807956
Overview
structure
Names & identifiers
- Preferred name
- 5-Hydroxypentanal
- IUPAC
- 5-hydroxypentanal
- English name
- 5-HYDROXYPENTANAL
- Molecular formula
- C5H10O2
- Molecular weight
- 102.13
Names & synonyms
5-HYDROXYPENTANAL4221-03-8Pentanal, 5-hydroxy-NSC-62080DTXSID30195039MN5U8C2789RefChem:102924DTXCID90117530224-165-5MFCD000444115-HydroxyvaleraldehydeSCHEMBL196890
Show more names
0/8/215-Hydroxypental5-Hydroxypentanal,90%,tech.5-Hydroxypentanal, tech., 90%
NSC62080NSC 62080AKOS006229449CS-W005564DS-13348AI3-19935EN300-123851F19841
Database identifiers
- CAS
4221-03-8- PubChem CID
- 20205
- DTXSID
DTXSID30195039- UNII
- MN5U8C2789
- EC Number
- 224-165-5
- Nikkaji
- J205.645C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 43.3
Physicochemical properties
- Boiling point
- 131.45 °C · 131.45°C (rough estimate)
- Density
- 1.05 · 1.0500
- refractive index
- 1.43 · 1.4300 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- 15.08 · 15.08±0.10(Predicted)
- color
- Colourless
- Stability
- Hygroscopic
- InChI
- InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2
- InChIKey
- CNRGMQRNYAIBTN-UHFFFAOYSA-N
- SMILES
- C(=O)CCCCO
- LogP
- -0.6 · -0.600 (est)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H412-H225-H315-H318
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]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2912490090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_class
- 3
- packing_group
- Ⅱ
- Hazard statements
- H335-H412-H225-H315-H318
- Precautionary statements
- P210-P302+P352-P303+P361+P353
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers64 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
25 records
Compound notes
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