Basic information
- CAS
21856-89-3- Standard SMILES
CC(=O)CCCCO- InChIKey
UALYCKSVHDYQRP-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Overview
6-hydroxy-2-Hexanone is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 6-Hydroxyhexan-2-one
- IUPAC
- 6-hydroxyhexan-2-one
- English name
- 6-hydroxyhexan-2-one
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
6-Hydroxyhexan-2-one21856-89-36-Hydroxy-2-hexanoneEINECS 244-622-2DTXSID10176260RefChem:543431DTXCID1098751244-622-22-Hexanone, 6-hydroxy-6-Hydroxy-hexan-2-oneMFCD161658154-Acetylbutyl alcohol
Show more names
JTJ-2-1Nsc 6200435-Oxohexanol6-caprolactone-2-one6-hydroxyhexan-2-oneE
6-Hydroxyhexane-2-one5-oxo-1-hexanolNSC6200434-acetyl-1-butanol2-Hexanone, 6-hydroxy- (7CI,8CI,9CI)6-Hydroxy-2-hexanone #TQ7W6X66DESCHEMBL96499
Database identifiers
- CAS
21856-89-3- PubChem CID
- 89077
- DTXSID
DTXSID10176260- ChEMBL
CHEMBL1981716- ChEBI
CHEBI:229297- UNII
- TQ7W6X66DE
- EC Number
- 244-622-2
- Nikkaji
- J26.133E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.9
Physicochemical properties
- Melting point
- -3.75 °C · -3.75°C (estimate)
- Boiling point
- 212.22 °C · 212.22°C (estimate)
- Density
- 0.92 · 0.9200
- refractive index
- 1.43 · 1.4300
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 15.08 · 15.08±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H12O2/c1-6(8)4-2-3-5-7/h7H,2-5H2,1H3
- InChIKey
- UALYCKSVHDYQRP-UHFFFAOYSA-N
- SMILES
- CC(=O)CCCCO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers40 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
深圳振强药物研发有限公司
Related reactions
1 records
Compound notes
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