1-Phenylethanol
093caa9e14607e1323fff609cc3a42749f54f243
Identity
- Substance
- fo-03aa6bcadb047e3a Neutral molecule
- Source
- stepwise algorithm addition
- Unit
- kg
- Context
- Environmental → Water → Unconfined aquifer
- CAS
- 98-85-1
- EC
- 202-707-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unconfined aquifer
Alternative labels
42- (1-Hydroxyethyl)benzene
- (RS)-1-Phenylethanol
- (RS)-sec-Phenethyl alcohol
- (RS)-α-Phenylethanol
- (±)-1-Phenylethanol
- (±)-1-Phenylethyl alcohol
- (±)-sec-Phenethyl alcohol
- (±)-sec-Phenylethanol
- (±)-α-Methylbenzenemethanol
- (±)-α-Methylbenzyl alcohol
- (±)-α-Phenethyl alcohol
- (±)-α-Phenylethanol
- 1-Hydroxy-1-phenylethane
- 1-Phenethyl alcohol
- 1-Phenyl-1-ethanol
- 1-Phenyl-1-hydroxyethane
- 1-Phenylethane-1-ol
- 1-Phenylethyl alcohol
- alpha-methylbenzenemethanol
- Alpha-methylbenzyl Alcohol
- alpha-phenylethanol
- alpha-phenylethyl alcohol
- Benzenemethanol, α-methyl-
- Benzyl alcohol, α-methyl-
- dl-1-Phenylethanol
- DL-Methyl phenyl carbinol
- DL-α-Phenylethyl alcohol
- Ethanol, 1-phenyl-
- Methylphenyl carbinol
- Methylphenylcarbinol
- Phenylmethylcarbinol
- sec-Phenethyl alcohol
- Styrallyl alcohol
- Styralyl alcohol
- Synthacolin
- α-Hydroxyethylbenzene
- α-Methylbenzenemethanol
- α-Methylbenzyl alcohol
- α-Methylphenylmethanol
- α-Phenethyl alcohol
- α-Phenylethanol
- α-Phenylethyl alcohol
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| stepwise | 2006-1.09 | 4026b5ce-d437-5ab4-b76a-6b5fed1fd284 | Methylbenzyl alcohol, alpha- | The CAS numbers are the same (98-85-1); no flow of this substance sat in that compartment, so this one was created for the row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| stepwise 2006-1.09 | 4026b5ce-d437-5ab4-b76a-6b5fed1fd284 | 1-Phenylethanol | Water / groundwater | exactMatch | — |
Characterisation factors
2- consensus-flow-list 1
- 2.-0 LCA consultants 1
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| Stepwise 2006 | 2.-0 LCA consultants | Human toxicity, carcinogens | — | 1.1400e-05 | — |
| Stepwise 2006 | consensus-flow-list | Human toxicity, carcinogens | — | 1.1400e-05 | sole |
History
The change log and the PROV-O trail (0 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
- One of these characterisation factors cannot be this substance's
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