3-(Benzyloxy)-4-methoxybenzyl alcohol

HCID 74622
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Basic information

CAS
1860-60-2
Standard SMILES
COc1ccc(CO)cc1OCc1ccccc1
InChIKey
USBKCBSYNCWKLB-UHFFFAOYSA-N
Molecular formula
C15H16O3
Average molar mass
244.28 g/mol
Monoisotopic mass
244.10994437

Names & identifiers

Preferred name
3-(Benzyloxy)-4-methoxybenzyl alcohol
IUPAC
(4-methoxy-3-phenylmethoxyphenyl)methanol
English name
3-BENZYLOXY-4-METHOXYBENZYL ALCOHOL
Molecular formula
C15H16O3
Molecular weight
244.29

Names & synonyms

1860-60-2(3-(Benzyloxy)-4-methoxyphenyl)methanol[3-(benzyloxy)-4-methoxyphenyl]methanol3-(Benzyloxy)-4-methoxybenzyl alcohol38BC3E66PGEINECS 217-462-6NSC-1317504-Methoxy-3-(phenylmethoxy)benzenemethanolDTXSID501718304-methoxy-3-benzyloxybenzyl alcoholNSC 131750Benzenemethanol, 4-methoxy-3-(phenylmethoxy)-
Show more names
(3-(Benzyloxy)RARECHEM AL BD 0086[4-methoxy-3-(phenylmethoxy)phenyl]methanolBenzenemethanol,4-methoxy-3-(phenylmethoxy)
RefChem:92551DTXCID9094321217-462-63-benzyloxy-4-methoxybenzyl alcohol(3-Benzyloxy-4-methoxy-phenyl)-methanol(4-methoxy-3-phenylmethoxyphenyl)methanolMFCD00183283NSC131750

Database identifiers

CAS
1860-60-2
PubChem CID
74622
DTXSID
DTXSID50171830
ChEMBL
CHEMBL5495252
UNII
38BC3E66PG
EC Number
217-462-6
Nikkaji
J199.676B

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

Physicochemical properties

Melting point
70 · 70-71 °C
Boiling point
395.6 · 395.6±32.0 °C(Predicted)
Density
1.152 · 1.152±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
14.16 · 14.16±0.10(Predicted)
FDA UNII
38 BC3E66PG · 38BC3E66PG

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Safety data

hs_code
2906290090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Upstream & downstream products

Suppliers32 total

成都市久鼎化学技术有限公司18584079237 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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