ChemicalBook Product Catalog Organic Chemistry Alcohols,Phenols,Phenol alcohols Alcohol derivatives Isophytol

Isophytol

Product NameIsophytol
CAS505-32-8
MFC20H40O
MW296.53
EINECS208-008-8
MOL File505-32-8.mol

Chemical Properties

Melting point	43.4°C (estimate)
Boiling point	334.88 °C (634.78 °F; 608.03 K)
Density	0.8458 g/cm3 (20 °C)
refractive index	1.46
Flash point	135 °C (275 °F; 408 K) (closed cup)
storage temp.	2-8°C, stored under nitrogen
solubility	soluble in Chloroform
pka	14.51±0.29(Predicted)
form	viscous liquid
color	Colorless
Specific Gravity	0.84
Odor	at 100.00 %. mild floral herbal green
Odor Type	floral
biological source	synthetic
Water Solubility	Practically insoluble
Merck	14,5198
BRN	1783243
Stability	Stable. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
InChIKey	KEVYVLWNCKMXJX-UHFFFAOYSA-N
SMILES	CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
LogP	8.8 at 25℃
CAS DataBase Reference	505-32-8(CAS DataBase Reference)
NIST Chemistry Reference	Isophytol(505-32-8)
EPA Substance Registry System	1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- (505-32-8)

Safety Information

Hazard Codes	Xi,N
Risk Statements	36/37/38-50/53-38
Safety Statements	24/25-37/39-26-61
RIDADR	UN 3082 9 / PGIII
WGK Germany	1
F	10
TSCA	TSCA listed
HazardClass	9
PackingGroup	III
HS Code	29052200
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 1 Skin Irrit. 2
Hazardous Substances Data	505-32-8(Hazardous Substances Data)

MSDS

Provider	Language
3,7,11,15-Tetramethyl-1-hexadecen-3-ol	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Properties

Isophytol is a colorless viscous liquid with a delicate dry leaf, tealike and slightly carmellic sweet odor. It is insoluble in water but soluble in organic solvents such as alcohols and ketones. It has the dual nature of olefins and alcohols. The physical properties of isophytol are listed in Table 4.8.
physical properties of isophytol

Description

Isophytol, also known as 3,7,11,15-tetramethyl-1-hexadecen-3-ol, is a derivative of acetylene and acetone. Isophytol is a terpenoid alcohol that is used as a fragrance and as an intermediate in the production of vitamin E and K1. Among them, the amount of isophytol used in production of vitamin E is the largest, followed by that used in the production of vitamin K1, while only about 0.1% of isophytol is used for fragrance and flavoring. Vitamin E is widely used in medicine, food, animal feed, beauty cosmetics and other aspects.

Chemical Properties

colourless viscous liquid

Uses

iso-Phytol was introduced to the perfumers as a natural flower oil fixative. high-grade iso-Phytol is a useful and effective material for application in artificial flower absolutes, and in certain perfume bases,specialties, etc.

Uses

preparation of vitamins E and K1.

Preparation

1) by decomposition of Chlorophyll extract from Alfalfa grass.
2) by hydrogenation of Geranyl linalool (see monograph).

Flammability and Explosibility

Non flammable

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Chemical Properties

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Usage And Synthesis

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