1-Naphthylisothiocyanate

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  • Identifiers

    CAS number
    551-06-4

    Molecular formula
    C11H7NS

    SMILES
    C1=CC=C2C(=C1)C=CC=C2N=C=S

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    pungent 65.07%
    sulfurous 49.41%
    radish 49.29%
    spicy 39.0%
    vegetable 34.92%
    garlic 34.45%
    burnt 34.12%
    bitter 30.88%
    oily 29.8%
    almond 27.95%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3 Well soluble in BB, DEP, IAA

    Molecular weight
    185.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Melting point expt.

    • 136 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)

  • Synonyms

    • 1-Naphthyl isothiocyanate
    • 551-06-4
    • 1-Naphthylisothiocyanate
    • 1-ISOTHIOCYANATONAPHTHALENE
    • ANIT
    • Kesscocide
    • alpha-Naphthyl isothiocyanate
    • Naphthalene, 1-isothiocyanato-
    • Isothiocyanatonaphthalene
    • 1-Naftylisothiokyanat
    • Naphthalene, isothiocyanato-
    • Isothiocyanic acid, 1-naphthyl ester
    • alpha-Naphthysothiocyanate
    • NSC 89741
    • 1-Naftylisothiokyanat [Czech]
    • CCRIS 4678
    • CHEBI:35455
    • alpha-Naphthylisothiocyanate
    • EINECS 208-990-8
    • BRN 0637868
    • 29962-76-3
    • AI3-28260
    • HG44814A3V
    • alpha-naphylisothiocyanate
    • EINECS 249-976-1
    • NSC-89741
    • 1-Isothiocyanatenaphthalene
    • .alpha.-Naphthysothiocyanate
    • .alpha.-Naphthyl isothiocyanate
    • ANI
    • DTXSID8025703
    • 4-12-00-03094 (Beilstein Handbook Reference)
    • NAPHTHYL ISOTHIOCYANATE, 1-
    • 1-NAPHTHYLISOTHIOCYANATE [MI]
    • Isothiocyanic Acid 1-Naphthyl Ester
    • 1-Isothiocyanate-naphthalene
    • 1 Naphthylisothiocyanate
    • MFCD00003882
    • alpha Naphthylisothiocyanate
    • UNII-HG44814A3V
    • 1Naftylisothiokyanat
    • 1-naphtylisothiocyanate
    • a-naphthylisothiocyanate
    • 1Naphthyl isothiocyanate
    • alphaNaphthyl mustard oil
    • 1Isothiocyanatenaphthalene
    • 1Isothiocyanatonaphthalene
    • alphanaphthylisothiocyanate
    • (1-naphthyl)isothiocyanate
    • |A-Naphthyl isothiocyanate
    • Naphthalene, isothiocyanato
    • alphaNaphthyl isothiocyanate
    • 1-naphthalenylisothiocyanate
    • WLN: L66J BNCS
    • 1-isothiocyanato-naphthalene
    • 1-Naphthalene isothiocyanate
    • Naphthalene, 1isothiocyanato
    • .alpha.-Naphthylisothiocyanate
    • SCHEMBL419795
    • DTXCID105703
    • CHEMBL1381098
    • 1-Naphthyl isothiocyanate, 95%
    • ALPHA-NAPHTHYL MUSTARD OIL
    • 1Naphthyl ester isothiocyanic acid
    • Isothiocyanic acid, 1naphthyl ester
    • NSC89741
    • Tox21_200329
    • BBL012567
    • BDBM50237618
    • STK300021
    • AKOS000212299
    • FN09063
    • NCGC00091213-01
    • NCGC00091213-02
    • NCGC00091213-03
    • NCGC00257883-01
    • BP-11139
    • CAS-551-06-4
    • PD074994
    • VS-03391
    • 1-NAPHTHYL ESTER ISOTHIOCYANIC ACID
    • DB-019293
    • I0190
    • NS00033239
    • EN300-18199
    • D91098
    • A830490
    • Q4545797
    • Z57358335
    • 1-Naphthyl isothiocyanate, for HPLC derivatization, >=98.5% (HPLC and GC)
    • 208-990-8
1 4

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction