UCSF

ZINC01529222

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: octanal octanal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 124-13-0 , [124-13-0]

Other Names:

1-Caprylaldehyde; 1-Octaldehyde; 1-Octanal; 1-Octylaldehyde; 124-13-0; C01545

1-Caprylaldehyde; 1-Octaldehyde; 1-Octanal; 1-Octylaldehyde; ALDEHIDO C-8; Aldehyde C8; Caprylaldehyde; Caprylic aldehyde; Octyl aldehyde; bmse000851; n-Octaldehyde; n-Octanal; n-Octyl Aldehyde; octanal

1-Caprylaldehyde; 1-Octaldehyde; 1-Octanal; 1-Octylaldehyde; Aldehyde C-8; Aldehyde C8; Antifoam-LF; C-8 Aldehyde; Caprylaldehyd; Caprylaldehyde; Caprylic aldehyde; Kaprylaldehyd; n-Caprylaldehyde; n-Octaldehyde; n-Octanal; N-Octyl aldehyde; n-Octylal; Oc

1-Caprylaldehyde; 1-Octaldehyde; 1-Octylaldehyde; 1-octanal; 124-13-0; CPD-371; n-octanal; octanal

1-Caprylaldehyde;1-Octaldehyde;1-Octanal;1-Octylaldehyde;Aldehyde C-8;Aldehyde C8;Antifoam-LF;C-8 Aldehyde;Caprylaldehyde;Caprylic aldehyde;N-Caprylaldehyde;N-Octaldehyde;N-Octanal;N-Octyl aldehyde;N-Octylal;Octaldehyde;Octanal;Octanaldehyde;Octanoic alde

1-Octanal; AI3-03961; Aldehyde C-8; Antifoam-LF; BRN 1744086; C-8 aldehyde; Caprylaldehyde; Caprylic aldehyde; EINECS 204-683-8; FEMA No. 2797; HSDB 5147; LS-2994; NSC 1508; Octaldehyde; Octanal; Octanal (natural); Octanal, tech; Octanaldehyde; Octanoic a

1-octanal; C-8 aldehyde; Caprylaldehyd; Kaprylaldehyd; Octylaldehyd; Oktanal; Oktylaldehyd; aldehyde C-8; caprylaldehyde; caprylic aldehyde; n-caprylaldehyde; n-octaldehyde; n-octanal; n-octyl aldehyde; n-octylal; octanaldehyde; octanoic aldehyde; octylal

Aldehyde c8

Aldehyde c8, 98%+

Caprylaldehyde

Caprylic aldehyde

CHEBI:11268; CHEBI:659; CHEBI:25641

MFCD00007029

Octanal, 98%

Octyl aldehyde

Octyl aldehyde, 99%

Download: MOL2 SDF SMILES Flexibase

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) 3.59 2.14 -4.68 0 1 0 17 128.215 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 12 - 15 Acros Organics
Melting_Point 12-15? Alfa-Aesar
Melting_Point 12-15° Alfa-Aesar
Boiling_Point 169-171? Alfa-Aesar
Boiling_Point 169-171° Alfa-Aesar
BP [°C] 171 Acros Organics
UniProt Database Links ADHC1_MYCS2; ADHC2_MYCS2; ADHX_DROME; AL1A2_CHICK; AL1A2_HUMAN; AL1A2_MOUSE; AL1A2_RAT; AL1A2_TAEGU; AL7A1_HUMAN ChEBI
Patent Database Links EP1422218; EP1504744; EP1552814; EP1857436; US2007231278; WO2007110790; WO2007134666 ChEBI
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H226: Flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; 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 lense Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R36/38: Irritating to eyes and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )