(rs)-1,2-dihydroxyhexane
1f31c0b3-6556-11dd-ad8b-0800200c9a66
Deprecated
Replaced by 11e950d2-cbbe-4524-9d70-4a25e3f8df16 .
Identity
- Substance
- fo-e46ba8fc52bbe3d1 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 6920-22-5
- EC
- 230-029-6
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
10- (±)-Hexane-1,2-diol
- 1,2-Dihydroxyhexane
- 1,2-Hexyleneglycol
- 5,6-Dihydroxyhexane
- DL-1,2-Hexanediol
- Dermasoft Hexiol
- Dermosoft Hexiol
- Hydrolite 6
- Microcare Emollient HXD
- 1,2-hexanediol
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 1f31c0b3-6556-11dd-ad8b-0800200c9a66 | 1,2-hexanediol | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
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Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works