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Merck
CN

W353901

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
Organoleptic:
green; woody; tropical
Biological source:
synthetic
Agency:
meets purity specifications of JECFA

Key Documents

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biological source

synthetic

Quality Level

300

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. 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.

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

Regulatory Information

危险化学品
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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)
Takeshi Shimoda et al.
The New phytologist, 193(4), 1009-1021 (2012-01-17)
Plants under herbivore attack emit mixtures of volatiles (herbivore-induced plant volatiles, HIPVs) that can attract predators of the herbivores. Although the composition of HIPVs should be critical for the attraction, most studies of transgenic plant-emitted volatiles have simply addressed the
Atsushi Muroi et al.
PloS one, 6(10), e24594-e24594 (2011-10-25)
A blend of volatile organic compounds (VOCs) emitted from plants induced by herbivory enables the priming of defensive responses in neighboring plants. These effects may provide insights useful for pest control achieved with transgenic-plant-emitted volatiles. We therefore investigated, under both
Kinuyo Yoneya et al.
Journal of chemical ecology, 36(7), 671-679 (2010-06-15)
Young, gregariously living larvae of the willow leaf beetles Plagiodera versicolora are known to exhibit characteristic aggregation-dispersion-reaggregation behavior and local fidelity to a host tree. In this study, we investigated whether plant volatiles induced by feeding P. versicolora larvae were
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