Isochromane

HCID 96266
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Basic information

CAS
493-05-0
Standard SMILES
c1ccc2c(c1)CCOC2
InChIKey
HEBMCVBCEDMUOF-UHFFFAOYSA-N
Molecular formula
C9H10O
Average molar mass
134.17 g/mol
Monoisotopic mass
134.07316494

Names & identifiers

Preferred name
Isochromane
IUPAC
3,4-dihydro-1H-isochromene
English name
Isochroman
Molecular formula
C9H10O
Molecular weight
134.18

Names & synonyms

Isochroman493-05-0Isochromane3,4-dihydro-1H-2-benzopyran2CA7RAZ2PMEINECS 207-774-0NSC-63362CHEBI:33225DTXSID50197757NSC 633621,2,3,4-TETRAHYDROBENZO(C)PYRANRefChem:149168
Show more names
ISO CHROMONIsochroman>Isochroman,99%Isochroman 99%1-H-Benzo-B-PyranRARECHEM AM UC 0319IsochroMan, 99% 25GRDihydrobenzo[c]pyran
DTXCID10120248207-774-0HEBMCVBCEDMUOF-UHFFFAOYSA-NInChI=1/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H3,4-Dihydro-1H-isochromene1H-2-Benzopyran, 3,4-dihydro-MFCD000069133,4-dihydro-1H-benzo[c]pyran

Database identifiers

CAS
493-05-0
PubChem CID
96266
DTXSID
DTXSID50197757
ChEBI
CHEBI:33225
UNII
2CA7RAZ2PM
EC Number
207-774-0
Nikkaji
J6.065H

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1184.8；1151

1751.1

Physicochemical properties

Melting point
4.35 °C · 4.35°C
Boiling point
75 °C · 75 °C (3.0004 mmHg)
Density
1.067 g/mL · 1.067 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.545(lit.)
Flash point
150 °F · 150 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 1H-2-Benzopyran, 3,4-dihydro-

Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified

Regulatory information

Regulatory Information · 2 items

Chemical: 1H-2-Benzopyran, 3,4-dihydro-

Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29329990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesIsochroman is a mycotoxins that inhibits the growth of Bacillus thuringiensis and causes morphological abnormalities in the cells.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: Isochromane is a member of isochromanes.

Related reactions

12 records
New reaction record

Compound notes

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