Phenylacetaldehyde

  • Identifiers

    CAS mumber
    122-78-1

    Molecular formula
    C8H8O

    SMILES
    C1=CC=C(C=C1)CC=O

    Retention indicies (RI)

    • DB5: 1047.14
    • Carbowax: 1646.43

  • Properties

    XLogP3-AA
    1.8 Well soluble in DEP, MMB, TEC

    Molecular weight
    120.15 g/mol

    Melting points

    • 33.5 °C
    • 120.5 - 121.5 °C

    Boiling points

    • 195 °C

    Solubilities

    • Slightly soluble in water; insoluble in water; soluble in oils, propylene glycol
    • 1 mL in 2 mL 80% ethanol (in ethanol)

  • Synonyms

    • phenylacetaldehyde
    • 2-phenylacetaldehyde
    • 122-78-1
    • Benzeneacetaldehyde
    • Hyacinthin
    • Phenylethanal
    • alpha-Tolualdehyde
    • 2-Phenylethanal
    • Phenylacetic aldehyde
    • Oxophenylethane
    • alpha-Toluic aldehyde
    • Acetaldehyde, phenyl-
    • Benzylcarboxaldehyde
    • 1-Oxo-2-phenylethane
    • Phenacetaldehyde
    • phenyl acetaldehyde
    • phenyl-Acetaldehyde
    • .alpha.-Tolualdehyde
    • Benzacetaldehyde
    • Phenylacetaldehyde (natural)
    • alpha-Phenylacetaldehyde
    • Benzenacetaldehyde
    • .alpha.-Toluic aldehyde
    • FEMA No. 2974
    • UNII-U8J5PLW9MR
    • NSC 406309
    • U8J5PLW9MR
    • EINECS 204-574-5
    • alpha-Tolyaldehyde
    • Acetaldehyde, phenyl- (8CI)
    • DTXSID3021483
    • CHEBI:16424
    • AI3-02175
    • NSC-406309
    • a-Tolyaldehyde
    • DTXCID501483
    • FEMA NO. 2874
    • CAS-122-78-1
    • benzeneethanal
    • a-Tolualdehyde
    • ?-Tolualdehyde
    • 2-phenylethanone
    • a-toluic aldehyde
    • Phenylacetoaldehyde
    • benzene acetaldehyde
    • a-Phenylacetaldehyde
    • MFCD00006993
    • 2-phenyl-acetaldehyde
    • bmse000427
    • NCIOpen2_003602
    • Phenylacetaldehyde, >=90%
    • SCHEMBL18972
    • PHENYLACETALDEHYDE [MI]
    • PHENYLACETALDEHYDE [FCC]
    • CHEMBL1233464
    • PHENYLACETALDEHYDE [FHFI]
    • STR00412
    • Tox21_201582
    • Tox21_302945
    • NSC406309
    • s9357
    • AKOS000119316
    • CCG-266073
    • CS-W011205
    • DB02178
    • FP58018
    • HY-W010489
    • Phenylacetaldehyde, >=95%, FCC, FG
    • NCGC00249076-01
    • NCGC00256522-01
    • NCGC00259131-01
    • DB-041686
    • NS00013128
    • P0119
    • EN300-18996
    • C00601
    • D78329
    • 10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1
    • A804962
    • Q424998
    • doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1
    • F2190-0653
    • Z104472146
    • D60A2590-0A65-4BA8-A05B-D8423408535C
    • InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H
    • 204-574-5
1 3

Botanical

Name CAS Botanical Proportion
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 1.6%
Camphor (Japan) 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.05%
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Dragonhead Dracocephalum moldavica L., fam. Lamiaceae (Labiatae) 0.2%
Lily headspace Lilium candidum L., fam. Liliaceae 4.2%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 12.0%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 1.5%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Gaura drummondii flower Gaura drummondii L., fam. Oenotheraceae 5.7%
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 5.95%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.05%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.01%
Strawberry leaf 1 90131-36-5 Fragaria x ananassa Duch., cultivar Bounty, fam. Rosaceae 3.06%
Strawberry leaf 2 90131-36-5 Fragaria x ananassa Duch., cultivar Honeoye, fam. Rosaceae 3.23%
Strawberry leaf 3 90131-36-5 Fragaria x ananassa Duch., cultivar Kent, fam. Rosaceae 0.01%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.6%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 1.2%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.08%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.03%
Lilac, White, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 0.72%
Lilac, White, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 0.06%
Lilac, Purple, Picked Flower Headspace 3 Syringa vulgaris L., fam. Oleaceae 0.11%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.5%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.03%
Ligustrum sinense, flower (China) Ligustrum sinense Lour., fam. Oliaceae 6.52%
Magnolia purpurella (China) 2 Magnolia purpurella Law et Zhou, fam. Magnoliaceae 0.21%
Artemisia abaensis (China) Artemisia abaensis Y.R. Ling et S.Y. Zhao, fam. Asteraceae (Compositae) 0.39%
Artemisia princeps (China) Artemisia princeps Pamp., fam. Asteraceae (Compositae) 0.33%
Artemisia argentea (Madeira) Artemisia argentea L'Her., fam. Asteraceae (Compositae) 0.2%
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.05%
Clerodendrum fragrans flower (China) Clerodendrum fragrans Vent., fam. Verbenaceae 0.18%
Dendrobium chrysatoxum flower (China) Dendrobium chrysatoxum Lindl., fam. Orchidaceae 0.19%
Teucrium abutiloides (Madeira) Teucrium abutiloides L'Her., fam. Lamiaceae (Labiatae) 0.01%
Teucrium betonicum (Madeira) Teucrium betonicum L'Her., fam. Lamiaceae (Labiatae) 3.3%
Aniba canellila Aniba canelilla (H.B.K.) Mez, fam. Lauraceae 0.15%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 2.0%
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 0.61%
Jasmine azoricum concrete Jasminum azoricum L., fam. Oleaceae 1.7%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 7.0%
Torreya taxifolia Torreya taxifolia Arnott, fam. Taxaceae 0.61%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 5.8%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.1%
Teucrium heterophyllum (Madeira) Teucrium heterophyllum L'Her. (T. canariensis), fam. Lamiaceae (Labiatae) 1.3%
Honeysuckle, japanese Lonicera japonica L., fam. Caprifoliaceae 2.1%
Vitex agnus-castus fruit (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.4%