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Substance Name: Trans-phytol
RN: 150-86-7
UNII: MZQ4XE15TP
InChIKey: BOTWFXYSPFMFNR-PYDDKJGSSA-N
Note
- Acyclic diterpene used in making synthetic forms of vitamin E and vitamin K1.
Classification Codes
- Natural Product
- Skin / Eye Irritant
Molecular Formula
- C20-H40-O
Molecular Weight
- 296.535
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Trans-phytol
MeSH Heading
- Phytol
Synonyms
- 3,7,11,15-Tetramethyl-2-hexadecen-1-ol
- 4-01-00-02208 (Beilstein Handbook Reference)
- AI3-24344
- BRN 1726098
- CCRIS 8226
- EINECS 205-776-6
- Phytol
- trans-Phytol
- UNII-MZQ4XE15TP
Systematic Names
- 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-
- 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*-(E)))-
- 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (theta-(theta,theta-(E)))-
- 3,7,11,15-Tetramethylhexadec-2-en-1-ol
- Phytol
Registry Numbers
CAS Registry Number
- 150-86-7
FDA UNII
- MZQ4XE15TP
Other Registry Numbers
- 5016-81-9
- 951764-81-1
System Generated Number
- 0000150867
Structure Descriptors
InChI
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1InChIKey
BOTWFXYSPFMFNR-PYDDKJGSSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 811, 1982. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 811, 1982. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | < 25 | deg C | EXP | |
| log P (octanol-water) | 8.320 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.12E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.