2-Ethylhexanol

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  • Identifiers

    CAS number
    104-76-7

    Molecular formula
    C8H18O

    SMILES
    CCCCC(CC)CO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1032.0
    • Carbowax: 1485.0

  • Odor profile

    sweet 68.22%
    oily 65.98%
    floral 54.59%
    fresh 49.24%
    herbal 46.55%
    fermented 44.75%
    musty 44.43%
    fatty 44.12%
    fruity 42.16%
    citrus 40.88%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.07 [mmHg]. Odor Threshold High: 0.13 [mmHg]. [Merck Index] Odor threshold from CHEMINFO

  • Properties

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

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -105 °F (NTP, 1992)
    • -70 °C
    • -76.00 °C. @ 760.00 mm Hg
    • -105 °F

    Boiling point

    • 363 to 365 °F at 760 mmHg (NTP, 1992)
    • 184.34 °C
    • 184.00 to 186.00 °C. @ 760.00 mm Hg
    • 182 °C
    • 363-365 °F

    Flash point expt.

    • 178 °F (NTP, 1992)
    • 81 °C
    • 164 °F (73 °C)
    • 73 °C c.c.
    • 178 °F

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • In water, 880 mg/L at 25 °C
    • Miscible with most organic solvents
    • Soluble in about 720 parts water, in many organic solvents
    • Solubility in water, g/100ml at 20 °C: 0.11 (poor)

  • Synonyms

    • 2-Ethylhexan-1-ol
    • 2-Ethylhexanol
    • 2-ETHYL-1-HEXANOL
    • 104-76-7
    • 2-Ethylhexyl alcohol
    • 1-Hexanol, 2-ethyl-
    • Ethylhexanol
    • 2-ETHYL HEXANOL
    • Alcohol, 2-ethylhexyl
    • 2-Aethylhexanol
    • FEMA No. 3151
    • 2-Aethylhexanol [German]
    • CCRIS 2292
    • xi-2-Ethyl-1-hexanol
    • HSDB 1118
    • XZV7TAA77P
    • NSC 9300
    • EINECS 203-234-3
    • 2-ethyl1-hexanol
    • BRN 1719280
    • DTXSID5020605
    • CHEBI:16011
    • AI3-00940
    • NSC-9300
    • (+/-)-2-ethylhexanol
    • DTXCID10605
    • 2-ETHYL HEXANOL [FCC]
    • EC 203-234-3
    • 2-ETHYL-1-HEXANOL [MI]
    • 2-ETHYL-1-HEXANOL [FHFI]
    • 2-ETHYL-1-HEXANOL [HSDB]
    • 4-01-00-01783 (Beilstein Handbook Reference)
    • 2-ETHYLHEXAN-1-OL [USP-RS]
    • (+/-)-2-ETHYL-1-HEXANOL-
    • (r)-2-ethylhexanol
    • 2-ETHYLHEXAN-1-OL (USP-RS)
    • 2-Ethyl-hexan-1-ol
    • Ethylhexanol, 2-
    • CAS-104-76-7
    • UNII-XZV7TAA77P
    • MFCD00004746
    • (+-)-2-Ethyl-1-hexanol
    • 2Aethylhexanol
    • 2-ethyhexanol
    • 2Ethyl1hexanol
    • 2-ethyl-hexanol
    • 1Hexanol, 2ethyl
    • 2-ethylhexylalcohol
    • 2ethylhexyl alcohol
    • 2-ethyl 1-hexanol
    • Alcohol, 2ethylhexyl
    • 2-ethyl hexyl alcohol
    • SCHEMBL16324
    • MLS002415694
    • CHEMBL31637
    • 2-ETHYLHEXANOL [INCI]
    • Alcohols,c7-9-iso-,c8-rich
    • 2-Ethyl-1-hexanol, >=99%
    • FEMA 3151
    • NSC9300
    • HMS2268N10
    • WLN: Q1Y4 & 2
    • 2-Ethyl-1-hexanol, >=99.6%
    • Tox21_202071
    • Tox21_300019
    • LMFA05000703
    • MSK001028
    • STL453673
    • 2-Ethyl-1-hexanol, >=99%, FG
    • AKOS000120105
    • AKOS016843836
    • (.+-.)-2-ETHYL-1-HEXANOL
    • 2-Ethyl-1-hexanol, analytical standard
    • USEPA/OPP Pesticide Code: 079098
    • NCGC00091294-01
    • NCGC00091294-02
    • NCGC00091294-03
    • NCGC00254215-01
    • NCGC00259620-01
    • FE177893
    • LS-13540
    • SMR000112222
    • SY355604
    • 1ST001028
    • MSK001028-1000
    • CS-0016002
    • E0122
    • NS00001645
    • EN300-19353
    • C02498
    • D72516
    • 2-Ethyl-1-hexanol, puriss., >=99.0% (GC)
    • 1ST001028-1000
    • 2-Ethyl-1-hexanol, SAJ first grade, >=99.0%
    • 2-Ethylhexanol Solution in Methanol, 1000?g/mL
    • 2-Ethylhexanol Solution in Methanol, 1000mug/mL
    • Q209388
    • 2-Ethylhexan-1-ol, United States Pharmacopeia (USP) Reference Standard
    • 203-234-3
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

Botanical

Name CAS Botanical Proportion
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 0.1%
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.01%
Calamintha nepeta (Greece) 1 Calamintha nepeta (L.) Savi (Melissa nepeta L.), fam. Lamiaceae (Labiatae) 0.05%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 3.66%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.05%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.1%
Pepper, black (India) 6a distilled 8006-82-4 Piper nigrum L., fam. Piperaceae 0.3%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 6.3%