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Merck
CN

95594

4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde

mixture of isomers, ≥97.0% (GC)

Synonym(s):

4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexenecarboxaldehyde, 4-(4-Methyl-4-hydroxyamyl)cyclohex-3-ene carboxaldehyde, Landolal, Liral

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About This Item

Empirical Formula (Hill Notation):
C13H22O2
CAS Number:
31906-04-4
Molecular Weight:
210.31
EC Number:
250-863-4
MDL number:
MFCD00019423
UNSPSC Code:
12352100
PubChem Substance ID:
57653687
NACRES:
NA.22

Key Documents

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Quality Level

100

Assay

≥97.0% (GC)

form

liquid

density

0.995 g/mL at 20 °C

functional group

aldehyde
hydroxyl

storage temp.

2-8°C

SMILES string

[H]C(=O)C1CCC(CCCC(C)(C)O)=CC1

InChI

1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3

InChI key

ORMHZBNNECIKOH-UHFFFAOYSA-N

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Related Categories

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

275.2 °F

Flash Point(C)

135.1 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL0063
BCCK1463
BCCK2524
BCCJ8066
BCCC1921

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Prevalence of allergic contact dermatitis caused by hydroxyisohexyl 3-cyclohexene carboxaldehyde has not changed in Denmark.
Maria V Heisterberg et al.
Contact dermatitis, 67(1), 49-51 (2012-06-12)
Patch-testing with fragrance mix II.
Györgyi Pónyai et al.
Dermatitis : contact, atopic, occupational, drug, 22(3), 169-170 (2011-05-17)
A new IFRA Standard on the fragrance ingredient, hydroxyisohexyl 3-cyclohexene carboxaldehyde.
Anne Marie Api et al.
Contact dermatitis, 62(4), 254-255 (2010-05-04)
Andrea Krautheim et al.
Contact dermatitis, 63(5), 262-269 (2010-10-16)
The fragrance mix (FM I), established in 1977, detects the majority, but not all cases of contact allergy to fragrances. Based on European research 2002/2003, fragrance mix II (FM II) was developed to supplement FM I. In 2005, the German
Is hydroxyisohexyl 3-cyclohexene carboxaldehyde sensitization declining in central Europe?
Axel Schnuch et al.
Contact dermatitis, 67(1), 47-49 (2012-06-12)
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