UCSF

ZINC08214519

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 17 No

Popular Name: Cetyl alcohol Cetyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Number: 36653-82-4

Other Names:

1-Cetanol; 1-Hexadecanol; 1-Hexadecyl alc; 1-Hexadecyl alcohol; AI3-00755; Adol; Adol 52; Adol 52 NF; Adol 520; Adol 54; Alcohol C-16; Aldol 54; Alfol 16; Atalco C; BRN 1748475; C16 alcohol; CO-1670; CO-1695; Cachalot C-50; Cachalot C-51; Cachalot C-52; C

1-cetanol; 1-hexadecanol; 1-hexadecyl alcohol; Cetylalkohol; cetanol; n-1-hexadecanol; n-hexadecyl alcohol

1-Cetanol;1-Hexadecanol;1-Hexadecyl alc;1-Hexadecyl alcohol;1-Hexanedecanol;1-Hydroxyhexadecane;16-Hexadecanol;Adol;Adol 52;Adol 52 NF;Adol 52NF;Adol 54;Alcohol C-16;Aldol 54;Alfol 16;Atalco C;C16 alcohol;Cachalot C-50;Cachalot C-50 NF;Cachalot C-51;Cacha

1-Hexadecanol

1-Hexadecanol, 96%

1-Hexadecanol, 98%

1-Hexadecanol, aluminum salt; 1-Hexadecanol, aluminum salt (3:1); Aluminium hexadecan-1-olate; Aluminum n-hexadecoxide; EINECS 242-836-0; LS-195444

1-HEXADECANOL; 1-Hexadecyl alcohol; 1-cetanol; 16-Hexadecanol; Alcohol C-16; Alcohols, C14-18; Aldol 54; Atalco C; CETYL ALCOHOL; Cachalot C-50; Cachalot C-51; Cachalot C-52; Cetaffine; Cetal; Cetalol CA; Cetanol; Cetanol (TN); Cetyl alcohol (NF); Cetylal

1-Hexadecanol; 16-Hexadecanol; 36653-82-4; C00823; Cetyl alcohol; Hexadecanol; Palmityl alcohol

1-hexadecanol; 16-hexadecanol; 36653-82-4; CPD-348; cetyl alcohol; hexadecanol; palmityl alcohol

36653-82-4; Cetanol (JP16); Cetanol (TN); Cetyl alcohol (NF); D00099

Cetanol (JAN); Cetyl Alcohol (FDA

Cetyl Alcohol

Cetyl Alcohol (NF

CHEBI:14396; CHEBI:5696; CHEBI:45015; CHEBI:24538

FDA); Cetanol (JAN)

hexadecan-1-ol

LS-74858

MFCD00004760

n-Hexadecyl alcohol

NF)

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) 7.18 0.14 -2.19 1 1 0 20 242.447 14 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 190?/15mm Alfa-Aesar
Boiling_Point 190°/15mm Alfa-Aesar
BP [°C] 344 Acros Organics
Mp [°C] 47 - 50 Acros Organics
Melting_Point 47-51? Alfa-Aesar
Melting_Point 47-51° Alfa-Aesar
Patent Database Links EP0966974; EP1057822; EP1632231; EP1707200; EP1747786; GB2208598; US2003022936; US2003120095; US2005031541; US2005033070; US2005070597; US2005131027; US2006084154; US2007207099; US2008274094; US2008293816; WO2005061515; WO2005108383; WO2006050002; WO20061 ChEBI
UniProt Database Links FAO1_LOTJA; FAO3_ARATH; TGS2_MYCTU; TGS4_MYCTU; Y1760_MYCTU; Y221_MYCTU; Y2285_MYCTU; Y3480_MYCTU; Y3740_MYCTU ChEBI
H phrase H315: Causes skin irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R38: Irritating to skin. Acros Organics
Reactome Database Links REACT_16930; REACT_17006; REACT_17042 ChEBI
S phrase S37: Wear suitable gloves. Acros Organics
PUBCHEM_PATENT_ID US4960771 IBM Patent Data
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Plasmalogen biosynthesis

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