(Z)-3-hexen-1-yl octanoate

(Z)-3-hexen-1-yl octanoate is a cis-configured aliphatic ester combining hexen-1-ol and octanoic acid moieties, with the molecular formula C₁₄H₂₆O₂. It is recognized for its characteristic green and fruity odor profile, reminiscent of fresh leaves and certain fruits such as kiwi and asparagus. This compound appears as a colorless liquid under standard conditions. Among its several synonyms are cis-3-hexenyl octanoate and (3Z)-3-hexen-1-yl caprylate. It is classified as a flavor and fragrance agent and is featured in controlled-vocabulary chemical databases such as PubChem. It is naturally present in trace to low concentrations in a variety of edible fruits and botanical sources, contributing to their green and fresh scent quality.

This ester occurs naturally in citrus fruits, guava, certain Passiflora species, green and black teas, and trace amounts in witch hazel leaf oil. Measured levels range up to 3 mg/kg in citrus and up to 0.25 mg/kg in Passiflora species. Biological occurrence of (Z)-3-hexen-1-yl octanoate suggests its role in botanical aroma profiles. Its applications include use as a flavor and fragrance agent to impart green, leafy, and fruity notes. According to the International Fragrance Association (IFRA, Global), usage restrictions for this compound in fragrance concentrates allow concentrations up to 6%. The compound is also regulated under REACH (EU), with specified maximum daily intake thresholds set to ensure safe use in consumer products. Its inclusion enhances sensory profiles in perfumes, food flavorings, and cosmetic formulations, frequently sought for fresh-green notes.

Physicochemically, (Z)-3-hexen-1-yl octanoate is a moderately lipophilic ester with an estimated log P value of approximately 5.5, indicating a strong preference for nonpolar solvents. It is a colorless liquid at ambient temperature with a boiling point near 292–293 °C at standard atmospheric pressure. The specific gravity ranges from 0.878 to 0.884 at 25 °C, and its refractive index lies between 1.431 and 1.451 at 20 °C. Vapor pressure at 25 °C is very low (~0.002 mmHg), reflecting its low volatility compared to some other esters. It exhibits solubility in alcohol but is only sparingly soluble in water, with estimated solubility around 0.568 mg/L at 25 °C. The flash point is approximately 200 °F (93 °C), which guides handling and formulation practices. These properties influence its stability, dispersibility, and sensory longevity when formulated in flavors or fragrances.

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Typical G.C.
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Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (Z)-3-hexen-1-yl octanoate usage levels up to:
	6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU):		0.49 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		3900 (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		7.00000	35.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		5.00000	25.00000
Edible ices, including sherbet and sorbet (03.0):		10.00000	50.00000
Processed fruit (04.1):		7.00000	35.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		10.00000	50.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		5.00000	25.00000
Bakery wares (07.0):		10.00000	50.00000
Meat and meat products, including poultry and game (08.0):		2.00000	10.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		2.00000	10.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		5.00000	25.00000
Foodstuffs intended for particular nutritional uses (13.0):		10.00000	50.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		5.00000	25.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		10.00000	50.00000
Ready-to-eat savouries (15.0):		20.00000	100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		5.00000	25.00000

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4 View page or View pdf

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Laboratory Chemical Safety Summary :5352267

National Institute of Allergy and Infectious Diseases:Data

[(Z)-hex-3-enyl] octanoate

Chemidplus:0061444415