3-Allyl-4-hydroxybenzaldehyde

HCID 4729014
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Basic information

CAS
41052-88-4
Standard SMILES
C=CCc1cc(C=O)ccc1O
InChIKey
HDZJQLIQQWIJBW-UHFFFAOYSA-N
Molecular formula
C10H10O2
Average molar mass
162.18 g/mol
Monoisotopic mass
162.06807956

Names & identifiers

Preferred name
3-Allyl-4-hydroxybenzaldehyde
IUPAC
4-hydroxy-3-prop-2-enylbenzaldehyde
English name
CHEMBRDG-BB 6474172
Molecular formula
C10H10O2
Molecular weight
162.19

Names & synonyms

3-Allyl-4-hydroxybenzaldehyde41052-88-44-hydroxy-3-prop-2-enylbenzaldehyde4-hydroxy-3-(prop-2-en-1-yl)benzaldehydeMFCD062904883-Allyl-4-hydroxy-benzaldehydeSP7283-allyl 4-hydroxybenzaldehydeSCHEMBL1002665DTXSID10406059HDZJQLIQQWIJBW-UHFFFAOYSA-NCHEMBRDG-BB 6474172
Show more names
3-allyl-4-hydroxybenzaldehyde(SALTDATA: FREE)
RBA05288AKOS000113936BS-36666DA-185423-Allyl-4-hydroxybenzaldehyde, AldrichCPRCS-0116721ST50101839Benzaldehyde, 4-hydroxy-3-(2-propen-1-yl)-

Database identifiers

CAS
41052-88-4
PubChem CID
4729014
DTXSID
DTXSID10406059
EC Number
809-414-3
Nikkaji
J1.608.613D

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
283.3 · 283.3±28.0 °C(Predicted)
Density
1.126 · 1.126±0.06 g/cm3(Predicted)
pka
8.1 · 8.10±0.18(Predicted)
form
solid
InChI
1S/C10H10O2/c1-2-3-9-6-8(7-11)4-5-10(9)12/h2,4-7,12H,1,3H2
InChIKey
HDZJQLIQQWIJBW-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H319
Hazard Classifications
Eye Irrit. 2

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers8 total

Aladdin Scientific[email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
郑州赛芬生物科技有限公司022-60688926
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

Related reactions

15 records
New reaction record

Compound notes

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