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Synthetic aroma chemicals

Isophytol

Also known as 3,7,11,15-Tetramethylhexadec-1-en-3-ol, 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-, 2,6,10,14-Tetramethylhexadec-15-en-14-ol

CAS 505-32-8Formula C20H40OMolar mass 296.54 g/molEC 208-008-8
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 5 suppliers listed
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Isophytol chemical structure, C20H40O, CAS 505-32-8
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Oily liquid
Boiling point
107 to 110
Density
0.8519 at 20 °C/4 °C
Solubility
Very soluble in benzene, ether, ethanol
HS code
290529
Category
Synthetic aroma chemicals
Illustrative photo, 200 litre steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Isophytol?

Plain description, key identifiers and synonyms

isophytol has been reported in Basella alba, Hordeum vulgare, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,7,11,15-tetramethylhexadec-1-en-3-ol
CAS number
505-32-8 CAS number cross-checked
EC number
208-008-8
Molecular formula
C20H40O
UNII
A831ZI6VIM
MDL number
MFCD00048380
INCI name
TETRAMETHYL-1-HEXADECEN-3-OL
InChIKey
KEVYVLWNCKMXJX-UHFFFAOYSA-N
InChI
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
SMILES (canonical and isomeric)
CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

Synonyms

  • 3,7,11,15-Tetramethylhexadec-1-en-3-ol
  • 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-
  • 2,6,10,14-Tetramethylhexadec-15-en-14-ol
  • 2,6,10-Trimethyl-14-vinylpentadecan-14-ol
  • 3,7,11,15-Tetramethyl-1-hexadecen-3-ol
  • 3,7,11,15-tetramethyl-1-hexadecene-3-ol
  • 1-Hexadecene-3-ol, 3,7,11,15-tetramethyl
  • 3,7,11,15-Tetramethyl-1-hexadecen-3-ol, Isovegetable Alcohol
  • isovegetable alcohol
  • 1-phyten-3-ol
  • Isophytol, >95%
  • iso-Phytol
  • Isophytol, >=97.0%
  • 1-Hexadecyl-3-ol, 3,7,11,15-tetramethyl
  • 3,7,11,15-Tetramethyl-1-hexadecen-3-ol #
  • 3,7,11,15-tetramethyl-3-hydroxy-1-hexadecene
  • Hexadec-1-en-3-ol, 3,7,11,15-tetramethyl-
  • 1-Hexadecen-3-ol,7,11,15-tetramethyl- (VAN8C
  • 3, 7, 11, 15 - Tetramethyl-1-Hexadecen-3-ol
  • 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- (VAN)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Oily liquidexp.
Boiling point
107 to 110exp.
Density
0.8519 at 20 °C/4 °Cexp.
Solubility
Very soluble in benzene, ether, ethanolexp.
Vapour pressure
5.8 × 10⁻¹⁰ mm Hg at 25 °C (extrapolated)exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
296.54 g/molcalc.
Exact mass
296.3079 Dacalc.
LogP (octanol/water)
6.36calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
13calc.
Heavy atoms
21calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H315Causes skin irritation.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Isophytol suppliers

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Where suppliers are based

5 suppliers in 3 countries

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Isophytol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

/Intermediate/ in the synthesis of Vitamins E and K...used as a diluent in higher price fragrances.

The industrial synthesis of phytol starts from isophytol.

Preparation of vitamins E and K1.

Most of the isophytol produced (estimate >> 99%) is being used as an intermediate in the synthesis of two vitamins with phytyl chains. Approx 99% of the above share is used for Vitamin E synthesis and < 1% for Vitamin K synthesis.

Cosmetic ingredient, INCI name TETRAMETHYL-1-HEXADECEN-3-OL(perfuming)

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

Isophytol is formed by transition-metal-catalyzed addition of malonic ester (to myrcene) and subsequent acidification.

Synthesis from linalool or citral, ... from acetylene, ... (and) from pseudoionone and propargyl alcohol.

Total chemical synthesis of isophytol may start from the addition of acetylene (CAS 74-86-2) to acetone (67-64-1) resulting in 3-methyl-1-butyn-3-ol (115-19-5), which is hydrated in the presence of a palladium catalyst to 3-methyl-1-buten-3-ol (115-18-4), which is reacted with either diketene or acetic acid ester to the acetoacetate and the latter thermally reacted to 2-me

Read more

thyl-2-hepten-6-one (110-93-0). Alternatively, 3-methyl-1-buten-3-ol is reacted with isopropenyl methyl ether (116-11-0) to 2-methyl-2-hepten-6-one. In a third synthetic pathway, isoprene hydrochloride is reacted with acetone in the presence of an alkaline condensing agent or in the presence of organic bases as catalysts to 2-methyl-2-hepten-6-one. 2-Methyl-2-hepten-6-one is then reacted with acetylene to dehydrolinalool (29171-20-8), to which isopropenyl methyl ether is added to make pseudoionone (141-10-6). The three double bonds are hydrated to form 6,10-dimethyl-2-undecanone (1604-34-8), which is reacted with acetylene to 3,7,11-trimethyl-1-dodecyn-3-ol (1604-35-9). Isopropenyl methyl ether is added to form 6,10-14-trimethyl-4,5-pentadecadiene-2-one (16647-10-2), which is hydrated to hexahydrofarnesyl acetone (502-69-2).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isophytol is traded under.

HS 2905.29Indicative HS code

Unsaturated monohydric alcohols, other

World exports in 2024
$361M
−8.5% vs 2023, imports $367M
2019 to 2024
Top exporters
  1. China26.8%
  2. Japan20.6%
  3. India * partner reported11.6%
Top importers
  1. China15.7%
  2. United States14.7%
  3. Germany8.2%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isophytol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isophytol, based on the data on this page

What is Isophytol?

isophytol has been reported in Basella alba, Hordeum vulgare, and other organisms.

What is the CAS number of Isophytol?

The CAS registry number of Isophytol is 505-32-8.

What is the molecular formula and weight of Isophytol?

The molecular formula of Isophytol is C20H40O and its molar mass is 296.54 g/mol.

What is Isophytol used for?

/Intermediate/ in the synthesis of Vitamins E and K...used as a diluent in higher price fragrances. The industrial synthesis of phytol starts from isophytol. Preparation of vitamins E and K1.

Is Isophytol hazardous?

Isophytol carries the GHS signal word "Warning". Main hazards: causes skin irritation, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isophytol?

Isophytol is usually classified under HS code 290529 (Unsaturated monohydric alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isophytol?

CompoundList lists 5 suppliers of Isophytol in United States, Hong Kong and Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isophytol?

Suppliers quote Isophytol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isophytol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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