What is this ingredient?

미국 FDA 물질 등록 · UNII P4871S0YA9 · 등록명 3-HEXENYL BENZOATE, (3Z)- · 단일 화학물질

All ingredients

Ingredient Dictionary

CIS-3-HEXENYL BENZOATE

(3Z)-hex-3-en-1-yl benzoate is the benzoate ester of (3Z)-hex-3-en-1-ol.

Definition

US FDA substance register · UNII P4871S0YA9 · registered name 3-HEXENYL BENZOATE, (3Z)- · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

(3Z)-hex-3-en-1-yl benzoate is the benzoate ester of (3Z)-hex-3-en-1-ol.

Source: PubChem

Cosmetic roles

Gives the product a scentPERFUMING

Safety & regulatory references

Not classified under Korea’s toxic-substance GHS list · existing chemical substance

Source: Korea toxic substances GHS register (NIER)

More data — names, identifiers, properties, test records, literature

Names & identifiers

CIS-3-HEXENYL BENZOATEINCI3-Hexen-1-ol, benzoate, (Z)-Synonym

CAS No.chemical registry number: 25152-85-6
EC No.EU chemical inventory number: 246-669-4
DTXSIDUS EPA chemical ID: DTXSID3047554
DTXCIDUS EPA compound ID: DTXCID1027554

IUPAC: (3Z)-Hex-3-en-1-yl benzoate
Molecular formula: C13H16O2
Molecular weight: 204.269 g/mol

Measured properties

Appearance: colourless oily slightly viscous liquid with a green, herbaceous, woody odour · liquid
Boiling point: 105.00 °C. @ 1.00 mm Hg · 130 °C (5 mm Hg)
Solubility: insoluble in water, soluble in organic solvents, fats, oils · miscible at room temperature (in ethanol)
Density: 0.995-1.004
Colour: colourless
Melting/freezing point: &amp, lt, -20 ℃ (101320 - 101325 Pa)
Initial boiling point and range: 273.2 ℃(101325 Pa)
Vapour pressure: 0.45 ㎩ (24 °C)
Water solubility: 40.3 ㎎/ℓ (24 °C)
Relative density: 1.002
n-Octanol/water partition coefficient (Kow): 4.5 (OECD TG 117, 25 °C)
Auto-ignition temperature: 402 ℃ (&amp, gt, = 99.7 - &amp, lt, = 99.9 kPa)
Viscosity: 3.23 cP (OECD TG 114, 25.0°C)
Molecular weight: 204.267

Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.

Source: PubChem · KOSHA safety data sheets (Korea)

What products actually use it for

What the 12 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.

Fragrance10
Flavouring and nutrient2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

1 skin studies and 0 eye studies are on record.

Classed as moderate1

The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.

See all 1 studies

Low to Moderate Frequency of Sensitization
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) adopted 22 July 2010.