CAS 10097-02-6PubChem CID 3301396
2,2-Bis(hydroxymethyl)butanoic acid
- IUPAC name
- 2,2-bis(hydroxymethyl)butanoic acid
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16 g/mol
- Exact mass
- 148.07355886 Da
- XLogP3
- -0.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen-bond donors
- 3
- Hydrogen-bond acceptors
- 4
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Butanoic acid, 2,2-bis(hydroxymethyl)-2,2-Dimethylolbutyric Aciddimethylolbutyric aciddimethylolbutanoic acid2,2-dimethylolbutanoic acidUNII-42UJ0Z625VNIKKAMER BA42UJ0Z625V
16 more reported names
EC 424-090-1JVYDLYGCSIHCMR-UHFFFAOYSA-BIS(HYDROXYMETHYL)BUTANOIC ACID, 2,2-RefChem:80945DIMETHYLOLBUTYRIC ACID [INCI]424-090-1600-143-4InChI=1/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)2,2-Bis(hydroxymethyl)butyric acid2,2'-Bis(hydroxymethyl)butyric acid2,2-bis(hydroxymethyl)-n-butyric acidDimethylol butanoic acidButanoic acid, bis(hydroxymethyl)-2,2-dihydroxymethylbutyric acid2,2-bis-(Hydroxymethyl)-n-buty2,2-Bis(hydroxymethyl)butyricacid
External database identifiers
- EPA DTXSID:DTXSID8064939
- PubMed:11262433
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match3301396
Attributed physical-property, hazard, environmental and use annotations.
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 80 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. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H412 (98.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 60 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. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | No exact record | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.