Phenoxyacetaldehyde

HCID 75033
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2120-70-9
Standard SMILES
O=CCOc1ccccc1
InChIKey
XFFILAFLGDUMBF-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.0524295

Names & identifiers

Preferred name
Phenoxyacetaldehyde
IUPAC
2-phenoxyacetaldehyde
English name
Cortex aldehyde 50 benzyl alcohol
Molecular formula
C8H8O2
Molecular weight
136.15

Names & synonyms

2120-70-9PhenoxyacetaldehydeAcetaldehyde, 2-phenoxy-NSC-49355NDR6B5CSP6DTXSID10518583-06-00-00588 (Beilstein Handbook Reference)RefChem:172911DTXCID4030415218-329-52-phenoxyacetaldehydeCortex aldehyde
Show more names
2-(phenoxy)ethanalCORTEX ALDEHYDE 50 P.ASINEX-REAG BAS 02858203phenoxyacetaldehyde 50% in peomosa
Acetaldehyde, phenoxy-phenoxy acetaldehydeMFCD00134414CORTEX ALDEHYDE 50 BENZYL ALCOHOLphenoxy-acetaldehydNSC49355EINECS 218-329-5NSC 49355

Database identifiers

CAS
2120-70-9
PubChem CID
75033
DTXSID
DTXSID1051858
UNII
NDR6B5CSP6
EC Number
218-329-5
Nikkaji
J33.410C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Phenoxyacetaldehyde) -> IFRA transparency List

Physicochemical properties

Melting point
38 °C · 38°C
Boiling point
210.42 °C · 210.42°C (rough estimate)
Density
1.115 · 1.1150 (rough estimate)
refractive index
1.509 · 1.5090 (estimate)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility
Ractically insoluble in water, soluble in alcohol and oils.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 293 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Acetaldehyde, phenoxy-
Other Safety InformationIMAP assessments - Acetaldehyde, phenoxy-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca
TSCA listed
Toxicity
skn-rbt 500 mg/24H MOD FCTXAV 14,659,76
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

IFRA Fragrance Standards · 6 items

Phenoxyacetaldehyde

Phenoxyacetaldehyde; Acetaldehyde, phenoxy-; Cortex aldehyde 50; 2-Phenoxyacetaldehyde; Acetaldehyde, 2-phenoxy-

IFRA_STD_261.pdf

51

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Use ClassificationFragrance Ingredients
General Manufacturing InformationAcetaldehyde, 2-phenoxy-: ACTIVE
Restriction Limits in the Finished Product (%) · 6 items

0.045 [Products applied to the lips]

0.014 [Products applied to the axillae]

0.27 [Products applied to the face/body using fingertips]

0.25 [Products related to fine fragrances]

0.064 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]

0.064 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]

Applications · 2 items

OccurrenceHas apparently not been reported to occur in nature.

Uses2-phenoxyacetaldehyde is used in perfume compositions. It performs particularly well with the Ionones and Methylionones for woodyfloral complexes, and in Geranium for powerful, fresh-green effects. It can also give lift and novel effects in Lavender with Oakmoss, in Chypre, etc. It is an aldehyde of considerable versatility and power.

Preparation methods

PreparationFrom phenol in weak aqueous alkali with monochloroacetaldehyde dimethyl acetal to yield the acetal which is then hydrolysed.

Upstream & downstream products

Suppliers33 total

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

Loading…