UCSF

ZINC01529210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 Yes

CAS Numbers: 106-24-1 , 106-25-2 , 8007-13-4 , [106-24-1]

Other Names:

"Geraniol, 98%"

(2E)-3,7-dimethyl-2,6-octadien-1-ol; (E)-3,7-dimethyl-2,6-octadien-1-ol; (E)-geraniol; (E)-nerol; 2-trans-3,7-Dimethyl-2,6-octadien-1-ol; 3,7-dimethyl-trans-2,6-octadien-1-ol; geraniol; geranyl alcohol; lemonol; t-geraniol; trans-3,7-dimethyl-2,6-octadien

(2E)-3,7-Dimethyl-2,6-octadien-1-ol;(2E)-3,7-Dimethylocta-2,6-dien-1-ol;(E)-3,7-Dimethyl-2,6-octadien-1-ol;(E)-Geraniol;(E)-Nerol;2-trans-3,7-Dimethyl-2,6-octadien-1-ol;2-trans-3,7-Dimethyl-2,6-octadiene-1-ol;2E-Geraniol;3,7-Dimethyl-(2E)-2,6-Octadien-1-o

(2E)3,7-dimethyl-2,6-Octadien-1-ol; (2Z)-3,7-Dimethyl-2,6-octadien-1-ol; (2Z)3,7-dimethyl-2,6-Octadien-1-ol; (cis)3,7-dimethyl-2,6-Octadien-1-ol; (E)3,7-dimethyl-2,6-Octadien-1-ol; (E)3,7-Dimethyl-Octadien-1-ol; (Z)-3,7-dimethyl-2,6-octadien-1-ol; (z)-ger

(2Z)-3,7-dimethylocta-2,6-dien-1-ol

(E)-3,7-Dimethyl-2,6-octadien-1-ol

(E)-3,7-Dimethyl-2,6-octadien-1-ol; (E)-Geraniol; (E)-Nerol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, trans-; 2-trans-3,7-Dimethyl-2,6-octadien-1-ol; 3,7-Dimethyl-2,6-octadien-1-ol,

(E)-3,7-Dimethylocta-2,6-dien-1-ol

(E)-geraniol; 106-24-1; geraniol; geranyl alcohol; lemonol; trans-3,7-dimethyl-2,6-octadien-1-ol; trans-geraniol

(Z)-Geraniol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-; 2-cis-3,7-Dimethyl-2,6-octadien-1-ol; 3,7-Dimethyl-2,6-octadien-1-ol, (Z)-; 3,7-Dimethyl-2,6-octadien-1-ol, cis-; AI3-28202; C10H18O; EINECS 203-378-7; FEMA No.

106-24-1; 3,7-dimethyl-2,6-octadien-1-ol; nsc9279

106-24-1; C01500; Geraniol

2E-geraniol

3,7-Dimethyl-2,6-Octadien-1-ol

3,7-Dimethylocta-2,6-dien-1-ol

791

beta-Geraniol

CHEBI:5329; CHEBI:14297; CHEBI:24219

cis-3,7-Dimethyl-2,6-octadien-1-ol

Geraniol [106-24-1]; (Lemonol)

Geraniol, 92%+

Geraniol, 97%

Geraniol, 99%

GERANIOL; [106-24-1]

Geraniol;2,6-Dimethyl-2,6-octadien-8-ol

Geranyl alcohol

Geranylalcohol

Lemonol

Meranol

MFCD00002917

MFCD00063204

Nerol

Nerol, 97%

NSC-9279

trans-3,7-Dimethyl-2,6-octadien-1-ol

trans-Geraniol

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) 3.20 4.3 -3.25 1 1 0 20 154.253 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 15 Acros Organics
MP 15 °C Indofine
Melting_Point 15? Alfa-Aesar
Melting_Point 15° Alfa-Aesar
Molecular_Solubility 2.442 Bitter DB
Boiling_Point 103-105?/9mm Alfa-Aesar
Boiling_Point 103-105°/9mm Alfa-Aesar
UniProt Database Links 10HGO_CATRO; ACSS_MAIZE; ALD1_RAT; GEDH1_OCIBA; GEOA_CASDE; GEOB_CASDE; GERS_CINTE; GERS_OCIBA; HMNGT_SORBI; LDI_CASDE; RDH16_HUMAN; Y3376_MYCTU ChEBI
Boiling_Point 114-115?/12mm Alfa-Aesar
Boiling_Point 114-115°/12mm Alfa-Aesar
BP [°C] 229 - 230 (p=757 torr) Acros Organics
Purity 95% Fluorochem
Patent Database Links EP0867431; EP1543829; EP1552814; EP1586578; EP1666021; EP1666027; EP1705171; EP1905453; EP1964544; GB2014030; US2002049346; US2003032565; US2007190177; US2007190191; US2007207220; US2007219131; US2007224261; US2007259042; US2007276152; US2008274064; US728 ChEBI
H phrase H318: Causes serious eye damage; H315: Causes skin irritation; H317: May cause an allergic skin reaction Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R38: Irritating to skin.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Target Transcription factor p65(Q04206)&Cytochrome P450 1A1(P04798)&Tissue factor(P13726)&Plasminogen activator inhibitor 1(P05121)&Tumor necrosis factor(P01375)&Interleukin-6(P05231)&Matrix metalloproteinase-9(P14780)&Transforming growth factor beta-1(P01137)&1 Herbal Ingredients Targets
therap weak estrogen receptor blocker MicroSource Spectrum
Hazard XI: Irritant Acros Organics

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