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methyl benzoate

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chemical compound

Adnoddau allanol

dynodwr Freebase
/m/08jyfn[1]
dynodwr Microsoft Academic
2780402615
ZVG number
27280
PubChem CID
7150[2][3]
DSSTOX compound identifier
DTXCID405572
UniChem compound ID
26068[4]
dynodwr Quora
Methyl-Benzoate[5]
SPLASH
splash10-0a6r-8900000000-6fca5a5a67e554be1310
splash10-0a6r-6900000000-e50a4550fe1c8b263d81
splash10-0a4i-5900000000-4dfb5ac01f5d5f7d5ce7
splash10-056r-9700000000-798ac6947aeb7428e12c
splash10-0a4i-2900000000-158c47203ae5a78de7f1
splash10-0a4r-2900000000-0d27c93c06f2d27bed8a
splash10-0a6r-9800000000-898ce08cbfefd77e3d38
splash10-0a6r-8900000000-5d1c26e3ea8cfe4bbf7a
splash10-0a6r-9800000000-bfd616d7b7e936cf8967
NSC number
9394
OpenAlex ID
C2780402615[6]
ChEMBL ID
CHEMBL16435[7]
Nikkaji ID
J9.149I
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N[2][8]
Cannabis Database ID
000636[9]
dynodwr HMDB
HMDB0033968[10][3]
UNII
6618K1VJ9T[11][3]
ChEBI ID
72775[7][12]

mapping relation type: exact match

CosIng number
35279[13]
J-GLOBAL ID
200907006347942861
InChI
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3[2]
SureChEMBL ID
SCHEMBL7200[10][3]
DSSTox substance ID
DTXSID5025572[14][3]
Den Store Danske ID
methylbenzoat
ECHA Substance Infocard ID
100.002.055[15]
Rhif Cofrestru CAS
93-58-3[11][16]
dynodwr ICSC
1187
AICS Chemical ID (BEING DELETED)
1772
KNApSAcK ID
C00007546[10][3]
C00034054[10][3]
rhif RTECS
DH3850000
JECFA number
851[17]
EC number
202-259-7[11]
FL number
09.725[18]
ChemSpider ID
6883[19]
NMRShiftDB structure ID
20034898[3]
Reaxys registry number
1072099[20]
CAMEO Chemicals ID
3894
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP000036
MSBNK-Fac_Eng_Univ_Tokyo-JP000304
MSBNK-Fac_Eng_Univ_Tokyo-JP002199
MSBNK-Fac_Eng_Univ_Tokyo-JP003139
MSBNK-Fac_Eng_Univ_Tokyo-JP005906
MSBNK-Fac_Eng_Univ_Tokyo-JP005969
MSBNK-Fac_Eng_Univ_Tokyo-JP004945
MSBNK-Fac_Eng_Univ_Tokyo-JP008481
RxNorm ID
1314316[11]
dynodwr HSDB
5283[21]

enghraifft o'r canlynol

math o endid cemegol

isddosbarth o'r canlynol

benzoic acid ester

rhan o'r canlynol

S-adenosyl-L-methionine:benzoic acid carboxyl methyl transferase activity[22]

adeiledd gemegol

màs

136.052 uned Dalton[23]

fformwla gemegol

C₈H₈O₂[2]

SMILES

COC(=O)C1=CC=CC=C1[2]

ionization energy

9.32 electronvolt[24]

trefnolyn: 1

ymdoddbwynt

−12.0 gradd Celsius[25]
−15 gradd Celsius[24]

boiling point

199 gradd Celsius[24]

under pressure: 101.325 kilopascal

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health: 0

NFPA Special: dim gwerth

NFPA Fire: 2

NFPA Instability: 0

found in taxon

Camellia sinensis[26][27]
Paeonia anomala[28]
rooibos[29]
Paeonia lactiflora[30][31]
Vitis rotundifolia[32]
Myrtwydd[33]
Artemisia sericea[34]
starfruit[35]
Cimicifuga simplex[36]
Salvinia molesta[37]
Solanum stuckertii[38]
Solanum incisum[38]
Plumeria rubra[39]
Actinidia chinensis[40][41]
Spondias mombin[42][43]
Polygala senega[44]
Neofinetia falcata[45]
Lepidium meyenii[46]
clove[47]
Sbriwsen Norwy[48]
Cananga odorata[49]
Llwyn aeron tagu du[50]
Chaerophyllum bulbosum[51]
Gwyddfid Japan[52]
Nicotiana bonariensis[53]
Nicotiana cavicola[53]
Ysgwydd aethnen[54]
Trichoderma koningii[55][56]
Vaccinium angustifolium[57]
Capsicum annuum var. annuum[58]
Anomala albopilosa[59]
Buddleja crispa[60]
Petunia axillaris[61]
Llygaeren America[62]
Nymphaea lasiophylla[63]
Mangifera indica[64]
Coeden geirios du[65]
Carica papaya[66][67][68]
Garcinia dulcis[69]
Berwr y fagwyr[70]
Erfinen wyllt[71][72][73]
Murraya paniculata[74]
Baco[75]
Streptomyces antioxidans[76]
Mimusops elengi[77]
Actaea simplex[36]
Actaea japonica[36]
Feijoa sellowiana[78]
Acca sellowiana[78]
Artemisia ammaniana[34]

categori Comin

Methyl benzoate

Cyfeiriadau

  1. ↑ Freebase Data Dumps, 28 Hydref 2013
  2. ↑ 2.0 2.1 2.2 2.3 2.4 PubChem, 19 Tachwedd 2016, Saesneg, 7150, METHYL BENZOATE
  3. ↑ 3.0 3.1 3.2 3.3 3.4 3.5 3.6 3.7 QPJVMBTYPHYUOC-UHFFFAOYSA-N, InChIKey
  4. ↑ UniChem
  5. ↑ Quora
  6. ↑ OpenAlex, 26 Ionawr 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
  7. ↑ 7.0 7.1 ChEMBL, 19 Tachwedd 2016, Saesneg, METHYL BENZOATE, CHEMBL16435
  8. ↑ ChEBI release 2020-09-01
  9. ↑ Cannabis Database
  10. ↑ 10.0 10.1 10.2 10.3 inferred from InChIKey
  11. ↑ 11.0 11.1 11.2 11.3 Global Substance Registration System, 19 Tachwedd 2016, Saesneg, methyl benzoate, 6618K1VJ9T
  12. ↑ International Chemical Identifier, InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
  13. ↑ CosIng database, 28 Rhagfyr 2019, 35279, METHYL BENZOATE, CAS no.: 93-58-3
  14. ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
  15. ↑ ECHA Substance Infocard database, 27 Rhagfyr 2018, 100.002.055, Methyl benzoate, CAS no.: 93-58-3
  16. ↑ CAS Common Chemistry, 9 Ebrill 2021, QPJVMBTYPHYUOC-UHFFFAOYSA-N, https://commonchemistry.cas.org/detail?cas_rn=93-58-3
  17. ↑ Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA), 13 Mai 2021
  18. ↑ EFSA database, 23 Ionawr 2021, CAS no.: 93-58-3, 09.725
  19. ↑ ChemSpider, 19 Tachwedd 2016, Saesneg, 6883, methylbenzoate
  20. ↑ ChEBI, 7 Hydref 2016, Saesneg, methyl benzoate, 72775
  21. ↑ Hazardous Substances Data Bank, 10 Mai 2021, 28 Hydref 2019, METHYL BENZOATE, 5283
  22. ↑ http://geneontology.org/external2go/rhea2go, 1 Chwefror 2021
  23. ↑ PubChem, 7 Hydref 2016, Saesneg, 7150, METHYL BENZOATE
  24. ↑ 24.0 24.1 24.2 Basic laboratory and industrial chemicals: A CRC quick reference handbook
  25. ↑ Jean-Claude Bradley Open Melting Point Dataset
  26. ↑ Studies on the Volatile Compounds of Camellia Flowers
  27. ↑ Volatile Compounds from Flowers
  28. ↑ An investigation of the essential oil of the roots ofPaeonia anomala
  29. ↑ Volatile components of Rooibos tea (Aspalathus linearis)
  30. ↑ "Essential oil constituents of \"PAEONIAE RADIX\" Peaonia lactiflora Pall. (P. albilora Pall.)."
  31. ↑ Volatile constituents of peony flowers
  32. ↑ Volatile constituents of the muscadine grape (Vitis rotundifolia)
  33. ↑ Gas chromatographic—mass spectrometric investigations of the volatile components of myrtle berries (Myrtus communis L.)
  34. ↑ 34.0 34.1 Constituents of the Essential Oil of Artemisia coerulescens
  35. ↑ Volatile constituents of carambola (Averrhoa carambola L.)
  36. ↑ 36.0 36.1 36.2 Floral fragrances in Cimicifuga: Chemical polymorphism and incipient speciation in Cimicifuga simplex
  37. ↑ Phenolic and other constituents of fresh water fern Salvinia molesta
  38. ↑ 38.0 38.1 Volatile Constituents from the Flowers ofSolanum stuckertiiandS. incisum
  39. ↑ Volatile components of plumeria flowers. Part 2.1 Plumeria rubra L. cv. ‘Irma Bryan’
  40. ↑ Volatile constituents of kiwi fruit (Actinidia chinensis Planch.)
  41. ↑ Volatile aroma constituents of kiwifruit
  42. ↑ Volatiles of the Jobo Fruit (Spondias mombinL.)
  43. ↑ Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)
  44. ↑ Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots
  45. ↑ Headspace Constituents of Flowers of Neofinetia Falcata
  46. ↑ Composition of the essential oil of Lepidium meyenii (Walp).
  47. ↑ Volatile components of clove essential oil (Eugenia caryophyllus SPRENG): Neutral fraction.
  48. ↑ Odoriferous compounds from the flowers of the conifers Picea abies, pinus sylvestris and Larix sibirica
  49. ↑ Composition of the essential oil of Ylang-Ylang (Cananga odorata Hook Fil. et Thomson forma genuina) from Madagascar
  50. ↑ Analysis of the volatile constituents of black chokeberry (Aronia melanocarpa Ell.)
  51. ↑ Essential oil of turnip-root chervil
  52. ↑ Volatile Constituents from the Flowers of Japanese Honeysuckle (Lonicera japonica)
  53. ↑ 53.0 53.1 Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes
  54. ↑ 2-Carbomethoxyoxepin: 1-carbomethoxybenzene 1,2-oxide. A metabolite of Phellinus tremulae.
  55. ↑ Studies on Metabolites of Mycoparasitic Fungi. III. New Sesquiterpene Alcohol from Trichoderma koningii.
  56. ↑ Studies on metabolites of mycoparasitic fungi. IV. Minor peptaibols of Trichoderma koningii
  57. ↑ Volatiles of wild blueberry, Vaccinium angustifolium: possible attractants for the blueberry maggot fruit fly, Rhagoletis mendax
  58. ↑ Chemical assessment and antioxidant capacity of pepper (Capsicum annuum L.) seeds
  59. ↑ Scarab beetleAnomala albopilosa albopilosa utilizes a more complex sex pheromone system than a similar speciesA. cuprea
  60. ↑ Enzymes Inhibitory Constituents From Buddleja Crispa
  61. ↑ Metabolic regulation of floral scent in Petunia axillaris lines: biosynthetic relationship between dihydroconiferyl acetate and iso-eugenol
  62. ↑ The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.
  63. ↑ The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators
  64. ↑ Volatile components from mango (Mangifera indica L.) cultivars
  65. ↑ Free and glycosidically bound aroma compounds in cherry (Prunus avium L.).
  66. ↑ Volatile components of papaya (Carica papaya L., Maradol variety) fruit
  67. ↑ Headspace examination of volatile emissions from ripening papaya (Carica papaya L., Solo variety)
  68. ↑ Volatile components of papaya (Carica papaya L., Solo variety)
  69. ↑ Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba
  70. ↑ Overexpression of salicylic acid carboxyl methyltransferase reduces salicylic acid-mediated pathogen resistance in Arabidopsis thaliana.
  71. ↑ The molecular bases of floral scent evolution under artificial selection: insights from a transcriptome analysis in Brassica rapa.
  72. ↑ Heritability of floral volatiles and pleiotropic responses to artificial selection in Brassica rapa.
  73. ↑ The effects of becoming taller: direct and pleiotropic effects of artificial selection on plant height in Brassica rapa.
  74. ↑ Composition of essential oil, concrete, absolute, wax and headspace volatiles ofMurrarya paniculata (Linn.) Jack flowers
  75. ↑ A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr
  76. ↑ Streptomyces antioxidans sp. nov., a Novel Mangrove Soil Actinobacterium with Antioxidative and Neuroprotective Potentials
  77. ↑ Volatile Components of Mimusops elengi L. Flowers
  78. ↑ 78.0 78.1 Volatile flavour constituents in the skin oil from Feijoa sellowiana
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