UCSF

ZINC01532735

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 No

Popular Name: octanol octanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106461-03-4 , 111-87-5

Other Names:

1-Hydroxyoctane; 1-Octanol; 1-octanol (ACD/Name 4.0); 2-Capryl alcohol; 2-Octanol; 2-Octanol ~99%; Alcohol C-8; Alfol 8; Capryl alcohol; Caprylic alcohol; DL-2-Octanol; Dytol m-83; Emery 3322; Emery 3324; Epal 8; Heptyl carbinol; Hexyl methyl carbinol; Lo

1-Hydroxyoctane; 1-Octanol; 1-Octyl alcohol; 1-Oktanol; 2-Capryl alcohol; 2-Octanol; Alcohol C-8; Alfol 8; Capryl alcohol; Caprylic alcohol; DL-2-Octanol; Epal 8; Heptyl carbinol; Hexyl methyl carbinol; Lorol 20; Lorol C8; n-Heptyl carbinol; n-Octan-1-ol

1-Hydroxyoctane; 1-Octanol; AI3-02169; Alcohol C-8; Alfol 8; C8 alcohol; CCRIS 9099; Caprylic alcohol; Caswell No. 611A; Dytol M-83; EINECS 203-917-6; EPA Pesticide Chemical Code 079037; EPAL 8; FEMA No. 2800; FEMA Number 2800; Fatty alcohol(C8); HSDB 700

1-Hydroxyoctane;1-Octanol;2-Capryl alcohol;2-Octanol;2-Octanol ~99%;Alcohol C-8;Alfol 8;Capryl alcohol;Caprylic alcohol;DL-2-Octanol;Dytol m-83;Emery 3322;Emery 3324;Epal 8;Heptyl carbinol;Hexyl methyl carbinol;Lorol 20;Lorol C8;N-Heptyl carbinol;N-Octan-

1-Octanol

1-Octanol, 99%

1-Octanol, 99%, anhydrous, AcroSeal®

1-Octanol, 99%, pure

1-Octanol, ACS reagent

1-Octanol, natural, 98%

1-Octanol; 1-Octyl alcohol; 1-Oktanol; 1-hydroxyoctane; Alcohol C-8; Alcohol C8; Capryl alcohol; Caprylic alcohol; Heptyl carbinol; N-octyl-alcohol; Octyl alcohol; bmse000970; n-Capryl alcohol; n-Caprylic alcohol; n-Octanol; n-heptyl carbinol; n-octan-1-o

1-Octanol; 1-Octyl alcohol; 1-Oktanol; 1-hydroxyoctane; Alcohol C-8; Alcohol C8; Capryl alcohol; Caprylic alcohol; Heptyl carbinol; N-octyl-alcohol; Octyl alcohol; bmse000980; n-Capryl alcohol; n-Caprylic alcohol; n-Octanol; n-heptyl carbinol; n-octan-1-o

1-Octanol; 111-87-5; C00756

1-octanol; 111-87-5; N-octanol; N-octyl-alcohol; caprylic alcohol; octanol; octyl-alcohol

1-Oktanol; 1-hydroxyoctane; 1-octanol; capryl alcohol; caprylic alcohol; n-heptyl carbinol; n-octan-1-ol; primary octyl alcohol

Capryl alcohol

CHEBI:11269; CHEBI:44579; CHEBI:660; CHEBI:25642; CHEBI:25643

Indium(III) n-octoxide, 98%

Indium(III) n-octylate

MFCD00002988

MFCD26967910

n-octanol

n-Octyl alcohol

octan-1-ol

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 3.47 -2.34 1 1 0 20 130.231 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 16 Acros Organics
Melting_Point 16? Alfa-Aesar
Melting_Point 16° Alfa-Aesar
Boiling_Point 193-195? Alfa-Aesar
Boiling_Point 193-195° Alfa-Aesar
BP [°C] 195 Acros Organics
UniProt Database Links ADHN_RHOER; ADHX_DROME; ALKB1_ALCBS; ALKB1_PSEAE; ALKB2_ALCBS; ALKB2_PSEAE; ALKB_ACIAD; ALKB_PSEOL; ALKB_PSEPU; CP4A2_RAT; CP4A5_RABIT; CP4A6_RABIT; CP4A7_RABIT; CP4AA_MOUSE; CP4AA_RAT; CP4AB_HUMAN; CP4AE_MOUSE; CP4AE_RAT; CP4AM_HUMAN; CP4AO_PIG; CP4AP_PI ChEBI
Melting_Point ca 150? dec. Alfa-Aesar
Target Caspase-3(P42574) Herbal Ingredients Targets
PUBCHEM_PATENT_ID EP0300797A1 IBM Patent Data
Patent Database Links EP0775703; EP0967213; EP1057822; EP1408025; EP1505072; EP1647268; EP1923473; US2002037563; US2003013772; US2003044885; US2003204064; US2004082042; US2004241816; US2005032907; US2005136007; US2005154229; US2005159594; US2005182569; US2005192337; US20061601 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H412: Harmful to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P273: Avoid release to th Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. Acros Organics
PUBCHEM_PATENT_ID US5290806 IBM Patent Data
Hazard XI: Irritant Acros Organics

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