|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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.