UCSF

ZINC01530385

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 10 Yes

Popular Name: beta-Pinene beta-Pinene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127-91-3 , 18172-67-3 , [127-91-3] , [18172-67-3]

Other Names:

"(1S)-(-)-¦Â-Pinene, 98%"

(-)-(1S,5S)-beta-pinene; (-)-beta-pinene; CPD-4891

(-)-(1S,5S)-beta-pinene;(-)-2(10)-Pinene;(-)-b-pinene;(-)-beta-pinene;(-)-nopinene;(-)-pin-2(10)-ene;(1S)-(-)-beta-Pinene;(1S,5S)-2(10)-Pinene;(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane;(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;(1

(-)-ß-Pinene

(-)-beta-Pinene

(-)-beta-Pinene; (1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane; 18172-67-3; C06307

(-)-Nopinene; (-)-Pin-2(10)-ene; (-)-beta-Pinene; Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S)-; Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-; CCRIS 3201; EINECS 242-060-2; LS-188484; l-beta-Pinene

(-)-nopinene; (-)-pin-2(10)-ene; (1S,5S)-beta-pinene

(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane; 2(10)-Pinene; 2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene; 6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane; 6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane; 6,6-Dimethyl-2-methylenenorpinane; AI3-24483; Bicyclo(

(1S)-(-)-beta-Pinene

(1S)-(-)-beta-Pinene, 98%

(1S)-(-)-beta-Pinene, 99%

(1S)-(-)-β-Pinene

(1S)-(1)-beta-Pinene

(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane

-beta-Pinene

127-91-3; C09882; beta-Pinene

2(10)-pinene; 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane; beta-pinene; nopinene; pseudopinene

2(10)-Pinene;2,2,6-Trimethylbicyclo[3.1.1]hept-2-ene;6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane;6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane, 9CI;6,6-Dimethyl-2-methylenenorpinane;6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane;beta-Pinene;Pinene, be

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane

CHEBI:10438; CHEBI:22853

CHEBI:18476; CHEBI:130

CPD-3221; beta-pinene

β-pinene

MFCD00001345

MFCD00063635

¦Â-Pinene

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) 3.33 2.24 -0.43 0 0 0 0 136.238 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 61 Acros Organics
Melting_Point 61? Alfa-Aesar
Melting_Point 61° Alfa-Aesar
Boiling_Point 164-165? Alfa-Aesar
Boiling_Point 164-165° Alfa-Aesar
BP 165 TCI
BP [°C] 165 - 167 Acros Organics
UniProt Database Links AMO_ARTAN; CARS_ARTAN; GTPS_CITLI; MIBS_STRCO; MYRS2_ARATH; PT10_PINTA; TPSD2_PICSI; TPSD3_ABIGR ChEBI
Patent Database Links EP1489109; EP1566176; US2007184133; US2007292540; WO2007109804 ChEBI
H phrase H304: May be fatal if swallowed and enters airways Acros Organics
H phrase H304: May be fatal if swallowed and enters airways; H315: Causes skin irritation; H317: May cause an allergic skin reaction; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of s Acros Organics
UniProt Database Links PT1_PINTA; QH6_ARTAN; SCS_SALOF; TPSD2_PICSI; TPSD3_ABIGR ChEBI
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R38: Irritating to skin.; R43: May cause sensitisation by skin contact.; R65: Harmful: may cause lung damage if swallowed. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
PUBCHEM_PATENT_ID US4999361 IBM Patent Data
Hazard XN: Harmful Acros Organics

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

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