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W353901

Sigma-Aldrich

Ocimene

mixture of isomers, stabilized, ≥90%

Synonym(s):

3,7-Dimethyl-1,3,6-octatrien, 3,7-Dimethyl-1,3,6-octatriene

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About This Item

Empirical Formula (Hill Notation):
C10H16
CAS Number:
13877-91-3
Molecular Weight:
136.23
FEMA Number:
3539
Beilstein:
1736172
EC Number:
237-641-2
MDL number:
MFCD00026437
UNSPSC Code:
12164502
PubChem Substance ID:
329830629
Flavis number:
1.018
NACRES:
NA.21
biological source:
synthetic
Pricing and availability is not currently available.

biological source

synthetic

Quality Level

400

Agency

meets purity specifications of JECFA

reg. compliance

FDA 21 CFR 172.515

Assay

≥90%

contains

BHT as stabilizer

refractive index

n20/D 1.485

bp

65-66 °C/13 mmHg

density

0.818 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

Organoleptic

green; woody; tropical

SMILES string

[H]C(CC([H])=C(C)C=C)=C(C)C

InChI

1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3

InChI key

IHPKGUQCSIINRJ-UHFFFAOYSA-N

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General description

Ocimene is a monoterpene that is commonly found in basil.[1] The (E)-β-isomer is reported to be present in the floral scent of different flowers and also in the plant volatile produced in response to damage by herbivores or mechanical wounding.[2]

Application


  • Volatile metabolomics and chemometric study provide insight into the formation of the characteristic cultivar aroma of Hemerocallis.: This study uses volatile metabolomics and chemometrics to explore the aroma formation in Hemerocallis, identifying significant volatile compounds including ocimene. The findings provide a deeper understanding of the biochemical pathways influencing aroma in plant cultivars (Zhou et al., 2023).

  • A taste of sweet pepper: Volatile and non-volatile chemical composition of fresh sweet pepper (Capsicum annuum) in relation to sensory evaluation of taste.: Investigating the chemical composition of sweet peppers, this study identifies ocimene among the key volatiles contributing to flavor profiles, correlating chemical data with sensory evaluations to enhance understanding of taste perception in horticultural products (Eggink et al., 2012).

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Signal Word

Danger

Hazard Statements

H226,H252,H304,H315,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 3 - Self-heat. 2 - Skin Irrit. 2

Storage Class Code

4.2 - Pyrophoric and self-heating hazardous materials

WGK

WGK 3

Flash Point(F)

132.8 °F - closed cup

Flash Point(C)

56 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ3953
SHBP4346
SHBN3989
SHBN0227
SHBM0663

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Functional identification of AtTPS03 as (E)-?-ocimene synthase: a monoterpene synthase catalyzing jasmonate-and wound-induced volatile formation in Arabidopsis thaliana.
Faldt J, et al.
Planta, 216(5), 745-751 (2003)
Basil: a source of essential oils.
Simon JE, et al.
Advances in new crops, 484-489 (1990)
Wayra G Navia-Giné et al.
Plant physiology and biochemistry : PPB, 47(5), 416-425 (2009-03-03)
Virtually all plants are able to recognize attack by herbivorous insects and release volatile organic compounds (VOC) in response. Terpenes are the most abundant and varied class of insect-induced VOC from plants. Four genes encoding putative terpene synthases (MtTps1, MtTps2
Alban Maisonnasse et al.
PloS one, 5(10), e13531-e13531 (2010-11-03)
In honey bee colony, the brood is able to manipulate and chemically control the workers in order to sustain their own development. A brood ester pheromone produced primarily by old larvae (4 and 5 days old larvae) was first identified
David C Gilley et al.
Journal of insect physiology, 52(5), 520-527 (2006-03-15)
We used solid-phase microextraction (SPME, 65 microm PDMS-DVB fiber) to sample the volatile compounds emitted by live honey bee queens in several reproductive states (unmated queens, recently mated queens, and established mated queens), and compared them to the volatiles emitted
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Questions

1–3 of 3 Questions  

  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  3. What are the specific isomers that constitute W353901, which is listed as a mixture of isomers?

    1 answer

    1. The product W353901 contains a combination of isomers. Although the ratio of isomers is not listed on the COA (only the assay of the sum), based on the QC data, the (Z)-beta isomer (cis) comprises 26.5% and the (E)-beta ocimene (trans) comprises 69.0%.

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