Phenethylamine (CAS 64-04-0) — Mid Note Fragrance Ingredient

ByThe Good Scents



bakery sweet

Phenethylamine

CAS 64-04-0

Note
mid
Volatility
high
MW
121.2
Data as of: Jun 2026

What Is Phenethylamine?

Phenethylamine (CAS 64-04-0) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as bakery, sweet and fruit, placing it as a mid note with high volatility. With a molecular weight of 121.2 (formula C8H11N), it is handled by perfumers as a building block for compositions where a bakery character is desired. The data below is compiled from public chemical and regulatory sources.

Safety Profile

HANDLE WITH CARE

Generally safeUse with awarenessProfessional use
CAS
64-04-0
Formula
C8H11N
MW
121.2
InChIKey
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenethylamine 2D structure

Phenethylamine
C8H11N
Layer 1 · Enthusiast

What Does Phenethylamine Smell Like?

The odour profile of Phenethylamine is reported as bakery, sweet, fruit, fish, garlic, spices, cold, sour, burnt, acid, warm, musky, sweaty, ammonia/urinous, decayed, wood, grass, flower, chemical, edible. The dominant facet is its bakery character, with the remaining notes adding nuance and complexity. As a mid note it contributes to the heart of a fragrance. Perceived intensity and exact character depend on concentration, the carrier and the surrounding accord.

Scent Profile

Profile derived from public odour-descriptor data; relative, not absolute.

Layer 2

Chemistry & Properties

The Chemistry

Phenethylamine has the molecular formula C8H11N and a molecular weight of 121.2 g/mol. Its canonical SMILES representation is NCCC1=CC=CC=C1. Its reported log P (XLogP) of 1.41 indicates a moderately polar molecule, which informs how it partitions in a formula. Physical constants below are drawn from PubChem and EPA CompTox public datasets.

Physical & Chemical Properties

Molecular Weight 121.2 g/mol
Boiling Point 198.0 °C
Melting Point -60.00 °C
Flash Point 89.32 °C
Density 0.96 g/cm³
Vapor Pressure 0.1995 mmHg
Water Solubility 0.5219 g/L
XLogP 1.41

Perfumer Guide

Note Position
Mid
Volatility
High
Primary Odour
Bakery

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when Phenethylamine is unavailable or restricted.

1
2-Acetylthiophene CAS 88-15-3

Shares bakery, sweet, fruit character — a candidate substitute or companion in the same odour space.

2
1,6-Hexanedithiol CAS 1191-43-1

Shares bakery, sweet, fruit character — a candidate substitute or companion in the same odour space.

3
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) CAS 18472-51-0

Shares acid, ammonia/urinous, bakery character — a candidate substitute or companion in the same odour space.

Layer 3

Safety & Regulatory

⚠ Regulatory Disclaimer

General reference only. IFRA, REACH and EU Cosmetics Regulation standards update periodically. Consult the current IFRA Standards Library before formulating. Not legal or regulatory advice.

IFRA Status

No IFRA restriction recorded in the data set. This is not a guarantee of unrestricted status — always confirm against the current IFRA Standards Library.

GHS Classification

Signal word: Danger

H290H301H314

Odour detection threshold (air): 0.0048 ppb — a literature-curated value indicating its potency in the vapour phase.

Formulating with Phenethylamine?

Open Phenethylamine in Fragrance Studio (Pro) for the calibrated vapour-pressure curve, the modelled odour-threshold estimate, and the substitute-matching engine across 2,900+ aromachemicals.

Open in Fragrance Studio →

Free · Web-based · No install required

References & Sources

  1. PubChem Compound Summary (NIH) — search by InChIKey
  2. EPA CompTox Chemicals Dashboard — physicochemical & fate data
  3. IFRA Standards Library (49th / 51st Amendment)
Sources: PubChem (NIH) · EPA CompTox · IFRA Standards Library · public GHS classification. Odour descriptors are original editorial summaries of public profiles, not reproduced from any single proprietary source.

Data: PubChem (NIH), EPA CompTox, IFRA. Last reviewed: Jun 2026.

Report a data error

Similar Posts