Phytosphingosine | CAS 554-62-1
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Phytosphingosine · CAS 554-62-1 · C18H39NO3. UNII GIN46U9Q2Q. Melting Point: 102 – 103 °C.
Identification
| CAS Registry Number | 554-62-1 |
|---|---|
| PubChem CID | 122121 |
| Molecular formula | C18H39NO3 |
| IUPAC name | (2S,3S,4R)-2-aminooctadecane-1,3,4-triol |
| UNII (FDA) | GIN46U9Q2Q |
Computed Descriptors
| Molecular Weight | 317.5 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 16 |
| Exact Mass | 317.29299411 |
| Monoisotopic Mass | 317.29299411 |
| Topological Polar Surface Area | 86.7 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
Physical & Chemical Properties
| Melting Point | 102 – 103 °C |
|---|
Physical description & handling notes
- Solid
- 180.68 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
- 196.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Regulatory Status
| Regulatory & Food Contact | CIR / INCI: Skin conditioning; Hair conditioning |
|---|
GHS Hazard Classification
| Reported hazard statements | H318 (99.2%), H400 (99.2%), H410 (99.2%) |
|---|
H318 (99.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H400 (99.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Documented Uses
- Cosmetics -> Skin conditioning; Hair conditioning
- Information on 1 consumer products that contain Phytosphingosine in the following categories is provided:
Synonyms
phytosphingosine; 554-62-1; (2S,3S,4R)-2-aminooctadecane-1,3,4-triol; 4-D-Hydroxysphinganine; D-Ribo-phytosphingosine; C18-Phytosphingosine; DS-phytosphingosine; 4R-hydroxysphinganine; (+)-D-ribo-Phytosphingosine; 1,3,4-Octadecanetriol, 2-amino-, (2S,3S,4R)-; GIN46U9Q2Q; CYTOMIDE PGS; BIOMIDE PS; DTXSID80203951; 4-R-hydroxyoctadecasphinganine; CHEBI:46961
Frequently Asked Questions
What are the CAS number and molecular formula of Phytosphingosine?
CAS 554-62-1; molecular formula C18H39NO3; molecular weight — g/mol.
What other names is Phytosphingosine known by?
phytosphingosine, 554-62-1, (2S,3S,4R)-2-aminooctadecane-1,3,4-triol, 4-D-Hydroxysphinganine, D-Ribo-phytosphingosine, C18-Phytosphingosine.
What is the regulatory status of Phytosphingosine?
Documented regulatory listings: CIR / INCI: Skin conditioning; Hair conditioning.
Is Phytosphingosine classified as hazardous?
Hazard statements reported: H318, H400, H410.
What are the key physical properties of Phytosphingosine?
Melting Point: 102 – 103 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.