Home Aldehydes 100-50-5
100-50-5,MFCD00001572
Catalog No.:AA00003D
100-50-5 | 3-Cyclohexene-1-carboxaldehyde
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Technical Information
Catalog Number:
AA00003D
Chemical Name:
3-Cyclohexene-1-carboxaldehyde
CAS Number:
100-50-5
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
MDL Number:
MFCD00001572
IUPAC Name:
cyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
InChI Key:
DCFDVJPDXYGCOK-UHFFFAOYSA-N
SMILES:
O=CC1CCC=CC1
EC Number:
202-858-3
NSC Number:
16241
UN Number:
2498
Properties
Computed Properties
 
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-CYCLOHEXENE-1-CARBOXALDEHYDE 
100-50-5 
cyclohex-3-enecarbaldehyde 
1,2,3,6-Tetrahydrobenzaldehyde, 98% - 100G 100g 
101022-06-4 
1321-16-0 
TETRAHYDROBENZALDEHYDE 
delta1-Tetrahydrobenzaldehyde 
NSC 16241 
4-Cyclohexene-1-carboxaldehyde 
HSDB 5334 
Benzaldehyde, tetrahydro- 
EINECS 202-858-3 
UN2498 
BRN 0774001 
1,2,3,6-Tetrahydrobenzaldehyde 
3-Cyclohexene-1-carbaldehyde 
AI3-21661 
DCFDVJPDXYGCOK-UHFFFAOYSA-N 
EINECS 215-315-0 
1,2,3,6-Tetrahydrobenzaldehyde(1,2,5,6) 
3-cyclohexenylmethanal 
3-cyclohexenecarbaldehyde 
4-Formyl-1-cyclohexene 
WLN: L6UTJ DVH 
3-cyclohexenecarboxaldehyde 
4-Formylcyclohexene 
ACMC-1BU0N 
DSSTox_CID_6661 
EC 202-858-3 
3-cyclohexene carboxaldehyde 
AC1L1OX4 
AC1Q6Q7W 
DSSTox_RID_78177 
DSSTox_GSID_26661 
SCHEMBL42869 
4-07-00-00134 (Beilstein Handbook Reference) 
Cyclohex-3-ene-1-carbaldehyde 
KSC175Q4L 
1,3,6-Tetrahydrobenzaldehyde 
1,5,6-Tetrahydrobenzaldehyde 
3-cyclohexene-1-carboaldehyde 
3-Cyclohexen-1-Carboxaldehyde 
AC1Q6Q23 
1,2,3,6-tetrahydrobenzaldehyd 
Jsp000131 
3-Cyclohexene-1-carbaldehyde # 
CHEMBL3188123 
Cyclohexene-4-carboxaldehyde 
DTXSID1026661 
CTK0H5845 
3-?Cyclohexene-?1-?carboxaldehyde 
KS-00000UN6 
NSC16241 
Tox21_201059 
0215AA 
ANW-14301 
MFCD00001572 
NSC-16241 
1-Formyl-3-cyclohexene 
SBB068360 
STK397283 
3-Cyclohexene-1-carboxaldehyde, 97% 
AKOS000119878 
AKOS016843227 
AKOS025244093 
MCULE-4752119585 
RP18987 
TRA0076112 
UN 2498 
3-Cyclohexen-1-aldehyde 
NCGC00248910-01 
NCGC00258612-01 
CAS-100-50-5 
LS-57406 
LS-57407 
SC-19174 
RT-001748 
FT-0615560 
ST24036652 
ST50690384 
1-Cyclohexene-4-carboxaldehyde 
A18008 
I14-6375 
W-108957 
F8889-7486 
cyclohex-3-enecarbaldehyde;3-Cyclohexene-1-carboxaldehyde 
1,2,3,6-Tetrahydrobenzaldehyde [UN2498] [Flammable liquid] 
1,2,3,6-Tetrahydrobenzaldehyde [UN2498] [Flammable liquid] 
chloroxylenol 
Cyclohexenecarbaldehyde 
Cyclohexenecarboxaldehyde 
1,2,5,6-Tetrahydrobenzaldehyde 
C7H10O 
3-Cyclohexne-1-carboxaldhyde 
UNII-GAK9539347 
CID7508 
C7-H10-O 
AR-1G2378 
c0881 
NA2498 
GAK9539347 
3-Cyclohexene-1-carboxaldehyde, 98% 50ml 
Literature

Title: Is hydroxyisohexyl 3-cyclohexene carboxaldehyde sensitization declining in central Europe?

Journal: Contact dermatitis 20120701

Title: Prevalence of allergic contact dermatitis caused by hydroxyisohexyl 3-cyclohexene carboxaldehyde has not changed in Denmark.

Journal: Contact dermatitis 20120701

Title: Allergic contact dermatitis: epidemiology, molecular mechanisms, in vitro methods and regulatory aspects. Current knowledge assembled at an international workshop at BfR, Germany.

Journal: Cellular and molecular life sciences : CMLS 20120301

Title: Contact allergy to the 26 specific fragrance ingredients to be declared on cosmetic products in accordance with the EU cosmetics directive.

Journal: Contact dermatitis 20111101

Title: [Current contact allergens].

Journal: Der Hautarzt; Zeitschrift fur Dermatologie, Venerologie, und verwandte Gebiete 20111001

Title: Hydroxyisohexyl 3-cyclohexene carboxaldehyde (Lyral®) as allergen: experience from a contact dermatitis unit.

Journal: Cutaneous and ocular toxicology 20110901

Title: Can exposure limitations for well-known contact allergens be simplified? An analysis of dose-response patch test data.

Journal: Contact dermatitis 20110601

Title: Fragrance allergens in 'specific' cosmetic products.

Journal: Contact dermatitis 20110401

Title: Contact-allergic reactions to cosmetics.

Journal: Journal of allergy 20110101

Title: Patch testing with fragrance mix II: results of the IVDK 2005-2008.

Journal: Contact dermatitis 20101101

Title: Fragrance mix II in the baseline series contributes significantly to detection of fragrance allergy.

Journal: Contact dermatitis 20101101

Title: Fragrance contact allergy: a 4-year retrospective study.

Journal: Contact dermatitis 20100801

Title: Fragrance allergy: assessing the safety of washed fabrics.

Journal: Contact dermatitis 20100601

Title: A new IFRA Standard on the fragrance ingredient, hydroxyisohexyl 3-cyclohexene carboxaldehyde.

Journal: Contact dermatitis 20100401

Title: The dose-response relationship between the patch test and ROAT and the potential use for regulatory purposes.

Journal: Contact dermatitis 20091001

Title: Clinical relevance of positive patch test reactions to the 26 EU-labelled fragrances.

Journal: Contact dermatitis 20091001

Title: Hydroxyisohexyl 3-cyclohexene carboxaldehyde allergy: relationship between patch test and repeated open application test thresholds.

Journal: The British journal of dermatology 20090901

Title: Quantitative patch and repeated open application testing in hydroxyisohexyl 3-cyclohexene carboxaldehyde sensitive-patients.

Journal: Contact dermatitis 20090901

Title: Integrated, multidisciplinary care for hand eczema: design of a randomized controlled trial and cost-effectiveness study.

Journal: BMC public health 20090101

Title: Hydroxyisohexyl 3-cyclohexene carboxaldehyde (Lyral) is still a frequent allergen.

Journal: Contact dermatitis 20080901

Title: Recommendation to include fragrance mix 2 and hydroxyisohexyl 3-cyclohexene carboxaldehyde (Lyral) in the European baseline patch test series.

Journal: Contact dermatitis 20080301

Title: Frequency of and trends in fragrance allergy over a 15-year period.

Journal: Contact dermatitis 20080301

Title: Selected important fragrance sensitizers in perfumes--current exposures.

Journal: Contact dermatitis 20070401

Title: Regular use of a hand cream can attenuate skin dryness and roughness caused by frequent hand washing.

Journal: BMC dermatology 20060101

Title: Clinical update on contact allergy.

Journal: Current opinion in allergy and clinical immunology 20051001

Title: Patch testing with a new fragrance mix detects additional patients sensitive to perfumes and missed by the current fragrance mix.

Journal: Contact dermatitis 20050401

Title: Patch testing with a new fragrance mix - reactivity to the individual constituents and chemical detection in relevant cosmetic products.

Journal: Contact dermatitis 20050401

Title: Hydroxyisohexyl 3-cyclohexene carboxaldehyde- known as Lyral: quantitative aspects and risk assessment of an important fragrance allergen.

Journal: Contact dermatitis 20030601

Title: The fragrance hand immersion study - an experimental model simulating real-life exposure for allergic contact dermatitis on the hands.

Journal: Contact dermatitis 20030601

Title: Total synthesis of the immunosuppressant FR901483 via an amidoacrolein cycloaddition.

Journal: Organic letters 20010419

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