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UV filters

Phytoene

Also known as (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene, Phytoene (constituent of lycopene and tomato extract containing lycopene), All-trans-Phytoene

CAS 540-04-5Formula C40H64Molar mass 544.95 g/mol
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Phytoene chemical structure, C40H64, CAS 540-04-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
540-04-5
Formula
C40H64
Molar mass
544.95 g/mol
HS code
290129
Category
UV filters

What is Phytoene?

Plain description, key identifiers and synonyms

All-trans-phytoene is the all-trans-isomer of phytoene. It has a role as a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
CAS number
540-04-5 CAS number cross-checkedOther or deprecated CAS: 13920-14-4
Molecular formula
C40H64
UNII
87E4NJ6N51
INCI name
PHYTOENE
InChIKey
YVLPJIGOMTXXLP-KEKOKYSKSA-N
InChI
InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
Canonical SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Isomeric SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C

Synonyms

  • (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
  • Phytoene (constituent of lycopene and tomato extract containing lycopene)
  • All-trans-Phytoene
  • trans-Phytoene
  • (all-E)-Phytoene
  • 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene
  • 15-cis-Phytoene (>80%)
  • (all-E) phytoene
  • psi,psi-Carotene, 7,7',8,8',11,11',12,12'-octahydro-
  • 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
  • phytoene, (all-E)-
  • 7,7,8,8,11,11,12,12-octahydro-psi,psi-carotene
  • (E/Z)-Phytoene
  • Phytoene, All-trans-
  • all-trans-7,7',8,8',11,11',12,12'-octahydro-Lycopene
  • 7,7',8,8',11,11',12,12'-octahydro-psi,psi-caro
  • 7,8,11,12,7',8',11',12'-octahydro-psi,psi-carotene
  • y,y-Carotene, 7,7',8,8',11,11',12,12'-octahydro-
  • 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene #
  • Lycopene, 7,7',8,8',11,11',12,12'-octahydro-, all-trans-
  • 2,6,10,14,16,18,22,26,30-Dotriacontanonaene, 2,6,10,14,19,23,27,31-octamethyl- lycopene, 7,7',8,8',11,11',12,12'-octahydro-, all-trans-

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
544.95 g/molcalc.
Exact mass
544.5008 Dacalc.
LogP (octanol/water)
13.83calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
20calc.
Heavy atoms
40calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Phytoene suppliers

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Phytoene 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

Cosmetic ingredient, INCI name PHYTOENE(hair conditioning, light stabilizer, uv filter, skin conditioning - occlusive)

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Cosmetic functions

  • Hair conditioning
  • Light stabilizer
  • Skin conditioning - occlusive
  • UV filter

Pharmacology

Phytoene is a 40 carbon dietary fatty acid produced by the conversion of two molecules of geranylgeranyl pyrophosphate by the enzyme phytoene synthase that is an intermediate in carotenoid biosynthesis in plants with potential to absorb ultraviolet radiation (UV), and potential antioxidant, chemopreventive, and anti-inflammatory activities in skin. Following ingestion and digestion, phytoene may accumulate in the epidermis where it may prevent UV-mediated sun damage and carcinogenesis. In addition, phytofluene may prevent carcinogenesis by protecting cells against DNA damage through its free radical scavenger effects.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2901.29Indicative HS code

Unsaturated, other

World exports in 2024
$2.65B
−3.2% vs 2023, imports $2.57B
2019 to 2024
Top exporters
  1. United States43.9%
  2. South Africa15.3%
  3. Qatar * partner reported9.0%
Top importers
  1. Singapore10.9%
  2. United States10.1%
  3. South Korea8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phytoene?

All-trans-phytoene is the all-trans-isomer of phytoene. It has a role as a plant metabolite.

What is the CAS number of Phytoene?

The CAS registry number of Phytoene is 540-04-5. Other or deprecated CAS numbers: 13920-14-4.

What is the molecular formula and weight of Phytoene?

The molecular formula of Phytoene is C40H64 and its molar mass is 544.95 g/mol.

What is Phytoene used for?

Known uses and roles of Phytoene include uv filters in cosmetics and personal care, skin conditioning agents in cosmetics and personal care, hair conditioning agents in cosmetics and personal care, eukaryotic metabolite, metabolite and 5 more.

Is Phytoene hazardous?

No GHS hazard classification for Phytoene is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Phytoene?

Phytoene is usually classified under HS code 290129 (Unsaturated, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phytoene?

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What is the price of Phytoene?

Suppliers quote Phytoene 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 Phytoene

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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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