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Home › Product Catalog › n-Hexyl benzoate

n-Hexyl benzoate

CAS 6789-88-4C13H18O2MW 206.28

n-Hexyl benzoate (CAS 6789-88-4) — formula C13H18O2, molecular weight 206.28; category organic chemicals.

Specifications

CAS Number6789-88-4
Molecular FormulaC13H18O2
Molecular Weight206.28
Boiling Point522 °F at 770 mmHg (NTP, 1992)
LogP4.9
CategoryOrganic Chemicals

Purchase Profile

What this product is

n-Hexyl benzoate is a carbon-based organic compound with CAS registry number 6789-88-4 and molecular formula C13H18O2 (molecular weight 206.28), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 6789-88-4

Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.

Also known as: n-Hexyl benzoate · HEXYL BENZOATE

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of n-Hexyl benzoate?

The CAS registry number of n-Hexyl benzoate is 6789-88-4.

What is the molecular formula and molecular weight of n-Hexyl benzoate?

Molecular formula C13H18O2, molecular weight 206.28.

What other names is n-Hexyl benzoate known by?

It is also registered under: n-Hexyl benzoate, HEXYL BENZOATE.

Which category does n-Hexyl benzoate belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for n-Hexyl benzoate (CAS 6789-88-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary93.9% (1547 / 1648)

This chemical does not meet GHS hazard criteria for 93.9% (1547 of 1648) of all reports.

Reported as not meeting GHS hazard criteria by 1547 of 1648 companies (only 6.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Savory
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary93.9% (1547 / 1648)

Physical description and handling notes

  • Hexyl benzoate is a clear colorless liquid. (NTP, 1992)
  • Colorless liquid; Insoluble in water; [CAMEO] Colorless or yellow liquid; [MSDSonline]
  • colourless oily liquid with a woody, green, piney, balsamic odour
  • greater than 200 °F (NTP, 1992)
  • less than 1 mg/mL at 68 °F (NTP, 1992)
  • INSOL IN WATER; SOL IN ALCOHOL, ACETONE

Reported physical properties

沸点522 °F at 770 mmHg (NTP, 1992)
沸点272 °C AT 770 MM HG
沸点272.00 °C. @ 760.00 mm Hg
沸点272 °C
闪点[HSDB] 148 °C
密度0.978-0.984
Vapor 密度7.1
蒸气压32.0 [mmHg]
折射率1.490-1.500

How this substance is indexed

CAS Registry Number6789-88-4
PubChem CID23235
分子式C13H18O2
IUPAC 名称hexyl benzoate
UNII（FDA）VR3C36EKJR
FEMA 编号3691
JECFA 编号854

Documented uses

  • Used as a fragrance (e.g., for perfumes, soaps, detergents, and creams); [HSDB]
  • FRAGRANCE, EG, FOR PERFUMES, SOAPS, DETERGENTS & CREAMS
  • Flavoring Agents -> JECFA Flavorings Index
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Information on 1 consumer products that contain Hexyl Benzoate in the following categories is provided:
  • ESTERIFICATION OF BENZOIC ACID WITH N-HEXYL ALCOHOL

Names this substance appears under

Hexyl benzoate; Benzoic acid, hexyl ester; N-HEXYL BENZOATE; Benzoic acid n-hexyl ester; Benzoic Acid Hexyl Ester; Hexylbenzoate; UNII-VR3C36EKJR; DTXSID9025403; EINECS 229-856-5; HSDB 6031; BRN 2048117; N-HEXYL BENZOATE [HSDB]; AI3-02064; FEMA 3691; HEXYL BENZOATE [FHFI]; DTXCID505403

Computed molecular descriptors

分子量206.28
XLogP34.9
氢键供体数0
氢键受体数2
可旋转键数7
精确质量206.130679813
单同位素质量206.130679813
拓扑极性表面积26.3
重原子数15
形式电荷0

Database abstract

n-Hexyl benzoate · CAS 6789-88-4 · C13H18O2. UNII VR3C36EKJR. 沸点: 522 °F at 770 mmHg (NTP, 1992); 沸点: 272 °C AT 770 MM HG; 沸点: 272.00 °C. @ 760.00 mm Hg.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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