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Hydrocarbons

alpha-Ocimene

Also known as 1,3,7-Octatriene, 3,7-dimethyl-, trans-alpha-Ocimene, alpha-trans-Ocimene

CAS 502-99-8Formula C10H16Molar mass 136.24 g/molEC 207-957-5
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alpha-Ocimene chemical structure, C10H16, CAS 502-99-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
502-99-8
Formula
C10H16
Molar mass
136.24 g/mol
EC number
207-957-5
HS code
290129
Category
Hydrocarbons

What is alpha-Ocimene?

Plain description, key identifiers and synonyms

(3E)-α-ocimene has been reported in Malus, Citrus reticulata, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E)-3,7-dimethylocta-1,3,7-triene
CAS number
502-99-8Other or deprecated CAS: 6874-10-8
EC number
207-957-5
Molecular formula
C10H16
UNII
8DBO41SLJL
InChIKey
XJPBRODHZKDRCB-CSKARUKUSA-N
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
Canonical SMILES
C=CC(C)=CCCC(=C)C
Isomeric SMILES
CC(=C)CC/C=C(\C)/C=C

Synonyms

  • 1,3,7-Octatriene, 3,7-dimethyl-
  • trans-alpha-Ocimene
  • alpha-trans-Ocimene
  • (E)-alpha-ocimene
  • (3E)-3,7-dimethylocta-1,3,7-triene
  • alpha-Ocimene, (E)-
  • Ocimene trans-alpha-form
  • alpha-Ocimene, (3E)-
  • 1,3,7-Octatriene, 3,7-dimethyl-, (3E)-
  • 3,7-dimethyl-1,3E,7-octatriene
  • alpha-cis-ocimene
  • e-alpha-ocimene
  • 3,7-dimethyl-1,3,7-octatriene
  • (3E)-alpha-ocimene
  • Ocimene, trans-alpha-
  • 2,6-Dimethyl-1,5,7-octatriene
  • 3,7-Dimethyl-1,3,7-octatriene #
  • 1,3,7-octatriene, 3,7-dimethyl-, (E)

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
136.24 g/molcalc.
Exact mass
136.1252 Dacalc.
LogP (octanol/water)
3.48calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
4calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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.

alpha-Ocimene suppliers

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alpha-Ocimene 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

Functional uses

  • Fragrance

Regulatory status

Inventories, regulations and trade controls that list this substance

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 alpha-Ocimene 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 alpha-Ocimene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about alpha-Ocimene, based on the data on this page

What is alpha-Ocimene?

(3E)-α-ocimene has been reported in Malus, Citrus reticulata, and other organisms.

What is the CAS number of alpha-Ocimene?

The CAS registry number of alpha-Ocimene is 502-99-8. Other or deprecated CAS numbers: 6874-10-8.

What is the molecular formula and weight of alpha-Ocimene?

The molecular formula of alpha-Ocimene is C10H16 and its molar mass is 136.24 g/mol.

What is alpha-Ocimene used for?

Known uses and roles of alpha-Ocimene include building blocks in research and laboratory and fragrance.

Is alpha-Ocimene hazardous?

No GHS hazard classification for alpha-Ocimene 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 alpha-Ocimene?

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

Where can I buy alpha-Ocimene?

Post a free request on CompoundList and suppliers of alpha-Ocimene will send you quotes. Your contact details stay private until you accept a quote.

What is the price of alpha-Ocimene?

Suppliers quote alpha-Ocimene 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 alpha-Ocimene

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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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